USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 HIS : no HD1:sc= 0.242 X(o=0.58,f=0.4) USER MOD Set 1.2: A 80 THR OG1 : rot 137:sc= 0.34 USER MOD Single : A 30 LYS NZ :NH3+ -142:sc= 0.0105 (180deg=-0.334) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -68:sc= -0.144 USER MOD Single : A 38 GLN : amide:sc= 0.62 K(o=0.62,f=-0.17) USER MOD Single : A 39 LYS NZ :NH3+ -134:sc= -1.61! (180deg=-4.03!) USER MOD Single : A 40 HIS : no HE2:sc= -0.11 K(o=-0.11,f=-1.7) USER MOD Single : A 41 ASN : amide:sc= 1.09 K(o=1.1,f=-0.44) USER MOD Single : A 42 HIS : no HE2:sc= -3.35! C(o=-3.4!,f=-6.3!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 44 LYS NZ :NH3+ -172:sc=-0.00665 (180deg=-0.0871) USER MOD Single : A 45 SER OG : rot 7:sc= 0.409 USER MOD Single : A 46 THR OG1 : rot 128:sc= 1.45 USER MOD Single : A 52 HIS : +bothHN:sc= -4.12! C(o=-4.1!,f=-13!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 115:sc= 1.15 USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= -0.0739 (180deg=-0.482) USER MOD Single : A 64 HIS : no HD1:sc= -0.662 K(o=-0.66,f=-3.6!) USER MOD Single : A 74 GLN : amide:sc= -0.647 X(o=-0.65,f=-0.86) USER MOD Single : A 82 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 88 HIS : no HE2:sc= 0.0694! C(o=0.069!,f=-4.2!) USER MOD Single : A 89 SER OG : rot 107:sc= 0.695 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 88:sc= 0.0644 USER MOD Single : A 97 LYS NZ :NH3+ -144:sc= -1.93! (180deg=-3.65!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 105 HIS : no HE2:sc= -3.46! C(o=-3.5!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 108 N VAL A 29 2.597 -9.396 -3.431 1.00 1.65 N ATOM 109 CA VAL A 29 2.829 -8.021 -2.996 1.00 1.29 C ATOM 110 C VAL A 29 3.048 -8.037 -1.492 1.00 1.04 C ATOM 111 O VAL A 29 2.305 -8.711 -0.782 1.00 1.10 O ATOM 112 CB VAL A 29 1.623 -7.112 -3.319 1.00 1.34 C ATOM 113 CG1 VAL A 29 1.915 -5.666 -2.931 1.00 1.70 C ATOM 114 CG2 VAL A 29 1.263 -7.217 -4.795 1.00 1.82 C ATOM 0 HA VAL A 29 3.697 -7.625 -3.523 1.00 1.29 H new ATOM 0 HB VAL A 29 0.769 -7.449 -2.732 1.00 1.34 H new ATOM 0 HG11 VAL A 29 1.052 -5.044 -3.168 1.00 1.70 H new ATOM 0 HG12 VAL A 29 2.120 -5.610 -1.862 1.00 1.70 H new ATOM 0 HG13 VAL A 29 2.782 -5.308 -3.486 1.00 1.70 H new ATOM 0 HG21 VAL A 29 0.411 -6.571 -5.009 1.00 1.82 H new ATOM 0 HG22 VAL A 29 2.115 -6.906 -5.400 1.00 1.82 H new ATOM 0 HG23 VAL A 29 1.005 -8.249 -5.034 1.00 1.82 H new ATOM 124 N LYS A 30 4.063 -7.331 -0.995 1.00 0.90 N ATOM 125 CA LYS A 30 4.324 -7.357 0.435 1.00 0.79 C ATOM 126 C LYS A 30 3.135 -6.778 1.184 1.00 0.63 C ATOM 127 O LYS A 30 2.573 -5.760 0.774 1.00 0.66 O ATOM 128 CB LYS A 30 5.590 -6.598 0.834 1.00 0.87 C ATOM 129 CG LYS A 30 5.931 -6.788 2.304 1.00 1.26 C ATOM 130 CD LYS A 30 6.982 -5.808 2.788 1.00 2.11 C ATOM 131 CE LYS A 30 7.358 -6.081 4.237 1.00 2.93 C ATOM 132 NZ LYS A 30 6.164 -6.128 5.135 1.00 3.71 N ATOM 0 H LYS A 30 4.698 -6.752 -1.545 1.00 0.90 H new ATOM 0 HA LYS A 30 4.480 -8.402 0.703 1.00 0.79 H new ATOM 0 HB2 LYS A 30 6.425 -6.939 0.222 1.00 0.87 H new ATOM 0 HB3 LYS A 30 5.456 -5.536 0.628 1.00 0.87 H new ATOM 0 HG2 LYS A 30 5.027 -6.671 2.901 1.00 1.26 H new ATOM 0 HG3 LYS A 30 6.288 -7.806 2.462 1.00 1.26 H new ATOM 0 HD2 LYS A 30 7.869 -5.881 2.159 1.00 2.11 H new ATOM 0 HD3 LYS A 30 6.606 -4.789 2.692 1.00 2.11 H new ATOM 0 HE2 LYS A 30 7.893 -7.028 4.299 1.00 2.93 H new ATOM 0 HE3 LYS A 30 8.041 -5.306 4.585 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 6.398 -5.685 6.047 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 5.376 -5.613 4.692 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 5.886 -7.118 5.292 1.00 3.71 H new ATOM 146 N TYR A 31 2.762 -7.405 2.282 1.00 0.56 N ATOM 147 CA TYR A 31 1.598 -6.982 3.017 1.00 0.49 C ATOM 148 C TYR A 31 2.006 -6.211 4.264 1.00 0.50 C ATOM 149 O TYR A 31 3.188 -6.153 4.619 1.00 0.64 O ATOM 150 CB TYR A 31 0.727 -8.183 3.402 1.00 0.56 C ATOM 151 CG TYR A 31 0.312 -9.053 2.224 1.00 0.63 C ATOM 152 CD1 TYR A 31 -0.234 -8.489 1.075 1.00 0.61 C ATOM 153 CD2 TYR A 31 0.474 -10.432 2.260 1.00 0.81 C ATOM 154 CE1 TYR A 31 -0.601 -9.277 -0.002 1.00 0.75 C ATOM 155 CE2 TYR A 31 0.112 -11.225 1.186 1.00 0.94 C ATOM 156 CZ TYR A 31 -0.469 -10.647 0.076 1.00 0.89 C ATOM 157 OH TYR A 31 -0.777 -11.430 -1.017 1.00 1.06 O ATOM 0 H TYR A 31 3.250 -8.207 2.680 1.00 0.56 H new ATOM 0 HA TYR A 31 1.013 -6.325 2.372 1.00 0.49 H new ATOM 0 HB2 TYR A 31 1.271 -8.797 4.120 1.00 0.56 H new ATOM 0 HB3 TYR A 31 -0.169 -7.821 3.906 1.00 0.56 H new ATOM 0 HD1 TYR A 31 -0.374 -7.419 1.023 1.00 0.61 H new ATOM 0 HD2 TYR A 31 0.890 -10.894 3.143 1.00 0.81 H new ATOM 0 HE1 TYR A 31 -0.989 -8.820 -0.900 1.00 0.75 H new ATOM 0 HE2 TYR A 31 0.283 -12.291 1.216 1.00 0.94 H new ATOM 0 HH TYR A 31 -0.628 -12.373 -0.796 1.00 1.06 H new ATOM 167 N TYR A 32 1.033 -5.587 4.893 1.00 0.43 N ATOM 168 CA TYR A 32 1.208 -4.993 6.200 1.00 0.46 C ATOM 169 C TYR A 32 0.037 -5.403 7.076 1.00 0.53 C ATOM 170 O TYR A 32 -0.968 -5.908 6.574 1.00 0.89 O ATOM 171 CB TYR A 32 1.306 -3.463 6.104 1.00 0.46 C ATOM 172 CG TYR A 32 2.599 -2.972 5.472 1.00 0.52 C ATOM 173 CD1 TYR A 32 2.747 -2.968 4.092 1.00 1.09 C ATOM 174 CD2 TYR A 32 3.663 -2.502 6.245 1.00 0.98 C ATOM 175 CE1 TYR A 32 3.905 -2.512 3.497 1.00 1.20 C ATOM 176 CE2 TYR A 32 4.831 -2.044 5.654 1.00 1.03 C ATOM 177 CZ TYR A 32 4.991 -2.091 4.347 1.00 0.81 C ATOM 178 OH TYR A 32 6.099 -1.593 3.684 1.00 0.96 O ATOM 0 H TYR A 32 0.094 -5.477 4.510 1.00 0.43 H new ATOM 0 HA TYR A 32 2.141 -5.348 6.638 1.00 0.46 H new ATOM 0 HB2 TYR A 32 0.463 -3.090 5.523 1.00 0.46 H new ATOM 0 HB3 TYR A 32 1.217 -3.039 7.104 1.00 0.46 H new ATOM 0 HD1 TYR A 32 1.940 -3.329 3.472 1.00 1.09 H new ATOM 0 HD2 TYR A 32 3.575 -2.495 7.321 1.00 0.98 H new ATOM 0 HE1 TYR A 32 3.996 -2.471 2.422 1.00 1.20 H new ATOM 0 HE2 TYR A 32 5.620 -1.643 6.273 1.00 1.03 H new ATOM 0 HH TYR A 32 6.781 -1.332 4.337 1.00 0.96 H new ATOM 188 N THR A 33 0.145 -5.199 8.368 1.00 0.48 N ATOM 189 CA THR A 33 -0.927 -5.597 9.258 1.00 0.57 C ATOM 190 C THR A 33 -1.967 -4.491 9.390 1.00 0.56 C ATOM 191 O THR A 33 -1.664 -3.303 9.313 1.00 0.60 O ATOM 192 CB THR A 33 -0.389 -6.014 10.638 1.00 0.72 C ATOM 193 OG1 THR A 33 0.427 -4.986 11.200 1.00 0.77 O ATOM 194 CG2 THR A 33 0.418 -7.289 10.516 1.00 0.82 C ATOM 0 H THR A 33 0.949 -4.767 8.823 1.00 0.48 H new ATOM 0 HA THR A 33 -1.413 -6.468 8.817 1.00 0.57 H new ATOM 0 HB THR A 33 -1.241 -6.182 11.297 1.00 0.72 H new ATOM 0 HG1 THR A 33 1.252 -4.901 10.678 1.00 0.77 H new ATOM 0 HG21 THR A 33 0.795 -7.576 11.498 1.00 0.82 H new ATOM 0 HG22 THR A 33 -0.215 -8.084 10.123 1.00 0.82 H new ATOM 0 HG23 THR A 33 1.257 -7.125 9.839 1.00 0.82 H new ATOM 202 N LEU A 34 -3.209 -4.909 9.569 1.00 0.60 N ATOM 203 CA LEU A 34 -4.341 -3.994 9.575 1.00 0.64 C ATOM 204 C LEU A 34 -4.295 -3.112 10.822 1.00 0.58 C ATOM 205 O LEU A 34 -4.740 -1.965 10.817 1.00 0.59 O ATOM 206 CB LEU A 34 -5.642 -4.806 9.505 1.00 0.86 C ATOM 207 CG LEU A 34 -6.925 -3.993 9.337 1.00 1.02 C ATOM 208 CD1 LEU A 34 -6.891 -3.235 8.018 1.00 1.23 C ATOM 209 CD2 LEU A 34 -8.149 -4.892 9.405 1.00 1.46 C ATOM 0 H LEU A 34 -3.462 -5.887 9.714 1.00 0.60 H new ATOM 0 HA LEU A 34 -4.296 -3.337 8.707 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -5.567 -5.507 8.673 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -5.727 -5.400 10.415 1.00 0.86 H new ATOM 0 HG LEU A 34 -6.990 -3.275 10.155 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -7.809 -2.658 7.906 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -6.035 -2.560 8.008 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -6.805 -3.943 7.194 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -9.050 -4.290 9.283 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -8.099 -5.636 8.610 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -8.177 -5.396 10.371 1.00 1.46 H new ATOM 221 N GLU A 35 -3.731 -3.682 11.885 1.00 0.65 N ATOM 222 CA GLU A 35 -3.616 -3.017 13.178 1.00 0.77 C ATOM 223 C GLU A 35 -2.535 -1.948 13.175 1.00 0.73 C ATOM 224 O GLU A 35 -2.612 -0.969 13.917 1.00 0.88 O ATOM 225 CB GLU A 35 -3.310 -4.030 14.290 1.00 0.94 C ATOM 226 CG GLU A 35 -2.127 -4.953 14.012 1.00 1.41 C ATOM 227 CD GLU A 35 -2.536 -6.257 13.357 1.00 1.91 C ATOM 228 OE1 GLU A 35 -3.105 -6.219 12.246 1.00 2.34 O ATOM 229 OE2 GLU A 35 -2.280 -7.329 13.943 1.00 2.56 O ATOM 0 H GLU A 35 -3.339 -4.624 11.872 1.00 0.65 H new ATOM 0 HA GLU A 35 -4.577 -2.540 13.368 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -3.118 -3.485 15.214 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -4.197 -4.641 14.459 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -1.414 -4.437 13.369 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -1.613 -5.169 14.949 1.00 1.41 H new ATOM 236 N GLU A 36 -1.503 -2.171 12.358 1.00 0.63 N ATOM 237 CA GLU A 36 -0.322 -1.322 12.374 1.00 0.74 C ATOM 238 C GLU A 36 -0.572 -0.042 11.599 1.00 0.67 C ATOM 239 O GLU A 36 0.009 1.001 11.882 1.00 0.82 O ATOM 240 CB GLU A 36 0.899 -2.059 11.803 1.00 0.85 C ATOM 241 CG GLU A 36 0.952 -2.116 10.281 1.00 0.95 C ATOM 242 CD GLU A 36 2.239 -2.723 9.774 1.00 1.24 C ATOM 243 OE1 GLU A 36 3.233 -1.983 9.631 1.00 1.76 O ATOM 244 OE2 GLU A 36 2.257 -3.950 9.525 1.00 1.67 O ATOM 0 H GLU A 36 -1.466 -2.932 11.680 1.00 0.63 H new ATOM 0 HA GLU A 36 -0.111 -1.067 13.412 1.00 0.74 H new ATOM 0 HB2 GLU A 36 1.804 -1.572 12.167 1.00 0.85 H new ATOM 0 HB3 GLU A 36 0.907 -3.077 12.192 1.00 0.85 H new ATOM 0 HG2 GLU A 36 0.108 -2.699 9.912 1.00 0.95 H new ATOM 0 HG3 GLU A 36 0.844 -1.109 9.878 1.00 0.95 H new ATOM 251 N ILE A 37 -1.441 -0.150 10.605 1.00 0.52 N ATOM 252 CA ILE A 37 -1.785 0.974 9.756 1.00 0.50 C ATOM 253 C ILE A 37 -2.668 1.943 10.528 1.00 0.53 C ATOM 254 O ILE A 37 -2.660 3.144 10.282 1.00 0.72 O ATOM 255 CB ILE A 37 -2.480 0.502 8.452 1.00 0.49 C ATOM 256 CG1 ILE A 37 -1.564 -0.483 7.713 1.00 0.51 C ATOM 257 CG2 ILE A 37 -2.837 1.686 7.552 1.00 0.54 C ATOM 258 CD1 ILE A 37 -2.148 -1.011 6.421 1.00 0.72 C ATOM 0 H ILE A 37 -1.924 -1.016 10.367 1.00 0.52 H new ATOM 0 HA ILE A 37 -0.869 1.487 9.464 1.00 0.50 H new ATOM 0 HB ILE A 37 -3.411 0.001 8.715 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -0.616 0.010 7.497 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -1.344 -1.323 8.371 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -3.322 1.321 6.647 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -3.514 2.355 8.083 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -1.929 2.226 7.284 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -1.442 -1.700 5.958 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -3.081 -1.534 6.630 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -2.342 -0.180 5.743 1.00 0.72 H new ATOM 270 N GLN A 38 -3.403 1.399 11.492 1.00 0.48 N ATOM 271 CA GLN A 38 -4.204 2.192 12.418 1.00 0.52 C ATOM 272 C GLN A 38 -3.319 3.036 13.329 1.00 0.54 C ATOM 273 O GLN A 38 -3.621 4.182 13.616 1.00 0.64 O ATOM 274 CB GLN A 38 -5.077 1.263 13.257 1.00 0.56 C ATOM 275 CG GLN A 38 -6.277 0.717 12.497 1.00 0.78 C ATOM 276 CD GLN A 38 -7.358 1.765 12.297 1.00 0.72 C ATOM 277 OE1 GLN A 38 -8.278 1.881 13.101 1.00 1.11 O ATOM 278 NE2 GLN A 38 -7.240 2.562 11.245 1.00 0.74 N ATOM 0 H GLN A 38 -3.460 0.394 11.654 1.00 0.48 H new ATOM 0 HA GLN A 38 -4.833 2.868 11.839 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -4.471 0.430 13.613 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -5.427 1.802 14.137 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -5.951 0.345 11.526 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -6.693 -0.132 13.040 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -6.463 2.438 10.596 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -7.926 3.299 11.084 1.00 0.74 H new ATOM 287 N LYS A 39 -2.220 2.462 13.786 1.00 0.54 N ATOM 288 CA LYS A 39 -1.332 3.164 14.708 1.00 0.62 C ATOM 289 C LYS A 39 -0.314 4.014 13.941 1.00 0.58 C ATOM 290 O LYS A 39 0.676 4.483 14.498 1.00 0.66 O ATOM 291 CB LYS A 39 -0.660 2.156 15.641 1.00 0.77 C ATOM 292 CG LYS A 39 -0.027 0.982 14.923 1.00 1.28 C ATOM 293 CD LYS A 39 0.421 -0.105 15.891 1.00 1.57 C ATOM 294 CE LYS A 39 -0.764 -0.884 16.456 1.00 2.08 C ATOM 295 NZ LYS A 39 -1.447 -0.161 17.566 1.00 2.52 N ATOM 0 H LYS A 39 -1.919 1.519 13.539 1.00 0.54 H new ATOM 0 HA LYS A 39 -1.914 3.852 15.321 1.00 0.62 H new ATOM 0 HB2 LYS A 39 0.106 2.669 16.223 1.00 0.77 H new ATOM 0 HB3 LYS A 39 -1.400 1.781 16.348 1.00 0.77 H new ATOM 0 HG2 LYS A 39 -0.741 0.564 14.213 1.00 1.28 H new ATOM 0 HG3 LYS A 39 0.830 1.329 14.346 1.00 1.28 H new ATOM 0 HD2 LYS A 39 1.097 -0.791 15.380 1.00 1.57 H new ATOM 0 HD3 LYS A 39 0.983 0.346 16.709 1.00 1.57 H new ATOM 0 HE2 LYS A 39 -1.481 -1.078 15.658 1.00 2.08 H new ATOM 0 HE3 LYS A 39 -0.419 -1.853 16.816 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 -1.621 -0.818 18.353 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 -0.844 0.620 17.894 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 -2.353 0.220 17.226 1.00 2.52 H new ATOM 309 N HIS A 40 -0.586 4.196 12.648 1.00 0.53 N ATOM 310 CA HIS A 40 0.179 5.096 11.788 1.00 0.56 C ATOM 311 C HIS A 40 -0.757 6.166 11.217 1.00 0.65 C ATOM 312 O HIS A 40 -0.572 6.632 10.105 1.00 0.93 O ATOM 313 CB HIS A 40 0.854 4.327 10.632 1.00 0.56 C ATOM 314 CG HIS A 40 1.969 3.413 11.048 1.00 0.93 C ATOM 315 ND1 HIS A 40 2.151 2.161 10.507 1.00 1.08 N ATOM 316 CD2 HIS A 40 2.988 3.592 11.926 1.00 1.39 C ATOM 317 CE1 HIS A 40 3.228 1.609 11.026 1.00 1.59 C ATOM 318 NE2 HIS A 40 3.759 2.453 11.891 1.00 1.80 N ATOM 0 H HIS A 40 -1.348 3.719 12.166 1.00 0.53 H new ATOM 0 HA HIS A 40 0.962 5.563 12.386 1.00 0.56 H new ATOM 0 HB2 HIS A 40 0.096 3.739 10.114 1.00 0.56 H new ATOM 0 HB3 HIS A 40 1.244 5.048 9.914 1.00 0.56 H new ATOM 0 HD1 HIS A 40 1.545 1.727 9.811 1.00 1.08 H new ATOM 0 HD2 HIS A 40 3.161 4.465 12.538 1.00 1.39 H new ATOM 0 HE1 HIS A 40 3.613 0.629 10.784 1.00 1.59 H new ATOM 327 N ASN A 41 -1.792 6.508 12.000 1.00 0.56 N ATOM 328 CA ASN A 41 -2.877 7.402 11.550 1.00 0.64 C ATOM 329 C ASN A 41 -2.669 8.827 12.064 1.00 0.82 C ATOM 330 O ASN A 41 -3.440 9.737 11.757 1.00 1.20 O ATOM 331 CB ASN A 41 -4.224 6.886 12.081 1.00 0.69 C ATOM 332 CG ASN A 41 -4.550 7.380 13.489 1.00 1.20 C ATOM 333 OD1 ASN A 41 -5.175 8.428 13.670 1.00 1.76 O ATOM 334 ND2 ASN A 41 -4.165 6.610 14.494 1.00 1.74 N ATOM 0 H ASN A 41 -1.903 6.176 12.958 1.00 0.56 H new ATOM 0 HA ASN A 41 -2.871 7.412 10.460 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -5.017 7.198 11.402 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -4.213 5.796 12.080 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -4.384 6.877 15.454 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -3.649 5.750 14.309 1.00 1.74 H new ATOM 341 N HIS A 42 -1.614 8.992 12.849 1.00 0.73 N ATOM 342 CA HIS A 42 -1.441 10.172 13.706 1.00 0.97 C ATOM 343 C HIS A 42 -0.323 11.087 13.219 1.00 1.06 C ATOM 344 O HIS A 42 0.432 10.702 12.337 1.00 1.54 O ATOM 345 CB HIS A 42 -1.146 9.716 15.139 1.00 1.05 C ATOM 346 CG HIS A 42 0.047 8.810 15.258 1.00 0.90 C ATOM 347 ND1 HIS A 42 1.050 8.744 14.302 1.00 0.81 N ATOM 348 CD2 HIS A 42 0.402 7.943 16.229 1.00 1.14 C ATOM 349 CE1 HIS A 42 1.968 7.880 14.686 1.00 0.87 C ATOM 350 NE2 HIS A 42 1.604 7.377 15.856 1.00 1.08 N ATOM 0 H HIS A 42 -0.852 8.318 12.915 1.00 0.73 H new ATOM 0 HA HIS A 42 -2.367 10.746 13.669 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -0.986 10.595 15.763 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -2.022 9.200 15.533 1.00 1.05 H new ATOM 0 HD1 HIS A 42 1.073 9.281 13.435 1.00 0.81 H new ATOM 0 HD2 HIS A 42 -0.152 7.731 17.131 1.00 1.14 H new ATOM 0 HE1 HIS A 42 2.864 7.625 14.140 1.00 0.87 H new ATOM 359 N SER A 43 -0.196 12.250 13.871 1.00 1.01 N ATOM 360 CA SER A 43 0.776 13.300 13.518 1.00 1.12 C ATOM 361 C SER A 43 2.048 12.748 12.869 1.00 0.97 C ATOM 362 O SER A 43 2.426 13.121 11.762 1.00 1.05 O ATOM 363 CB SER A 43 1.135 14.081 14.788 1.00 1.34 C ATOM 364 OG SER A 43 1.466 13.202 15.860 1.00 2.00 O ATOM 0 H SER A 43 -0.775 12.495 14.674 1.00 1.01 H new ATOM 0 HA SER A 43 0.309 13.949 12.777 1.00 1.12 H new ATOM 0 HB2 SER A 43 1.977 14.743 14.585 1.00 1.34 H new ATOM 0 HB3 SER A 43 0.296 14.713 15.079 1.00 1.34 H new ATOM 0 HG SER A 43 1.692 13.727 16.656 1.00 2.00 H new ATOM 370 N LYS A 44 2.689 11.852 13.620 1.00 0.89 N ATOM 371 CA LYS A 44 4.000 11.286 13.298 1.00 0.89 C ATOM 372 C LYS A 44 4.077 10.683 11.899 1.00 0.77 C ATOM 373 O LYS A 44 5.146 10.684 11.287 1.00 0.94 O ATOM 374 CB LYS A 44 4.316 10.191 14.311 1.00 1.01 C ATOM 375 CG LYS A 44 5.741 9.657 14.234 1.00 1.53 C ATOM 376 CD LYS A 44 5.988 8.576 15.279 1.00 2.16 C ATOM 377 CE LYS A 44 5.746 9.093 16.690 1.00 2.63 C ATOM 378 NZ LYS A 44 6.676 10.190 17.044 1.00 3.26 N ATOM 0 H LYS A 44 2.301 11.490 14.491 1.00 0.89 H new ATOM 0 HA LYS A 44 4.719 12.105 13.335 1.00 0.89 H new ATOM 0 HB2 LYS A 44 4.140 10.579 15.314 1.00 1.01 H new ATOM 0 HB3 LYS A 44 3.622 9.364 14.162 1.00 1.01 H new ATOM 0 HG2 LYS A 44 5.926 9.252 13.239 1.00 1.53 H new ATOM 0 HG3 LYS A 44 6.446 10.475 14.381 1.00 1.53 H new ATOM 0 HD2 LYS A 44 5.334 7.726 15.085 1.00 2.16 H new ATOM 0 HD3 LYS A 44 7.013 8.215 15.194 1.00 2.16 H new ATOM 0 HE2 LYS A 44 4.718 9.446 16.776 1.00 2.63 H new ATOM 0 HE3 LYS A 44 5.862 8.275 17.401 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 6.571 10.422 18.052 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 7.654 9.890 16.857 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 6.456 11.030 16.471 1.00 3.26 H new ATOM 392 N SER A 45 2.961 10.157 11.409 1.00 0.63 N ATOM 393 CA SER A 45 2.953 9.368 10.177 1.00 0.62 C ATOM 394 C SER A 45 1.540 9.222 9.625 1.00 0.65 C ATOM 395 O SER A 45 0.595 9.054 10.393 1.00 1.05 O ATOM 396 CB SER A 45 3.541 7.976 10.441 1.00 0.65 C ATOM 397 OG SER A 45 4.926 8.042 10.740 1.00 1.31 O ATOM 0 H SER A 45 2.045 10.262 11.846 1.00 0.63 H new ATOM 0 HA SER A 45 3.561 9.892 9.440 1.00 0.62 H new ATOM 0 HB2 SER A 45 3.011 7.508 11.271 1.00 0.65 H new ATOM 0 HB3 SER A 45 3.387 7.343 9.567 1.00 0.65 H new ATOM 0 HG SER A 45 5.199 8.980 10.823 1.00 1.31 H new ATOM 403 N THR A 46 1.387 9.249 8.310 1.00 0.43 N ATOM 404 CA THR A 46 0.074 9.056 7.715 1.00 0.42 C ATOM 405 C THR A 46 0.099 7.930 6.674 1.00 0.39 C ATOM 406 O THR A 46 0.858 7.986 5.700 1.00 0.47 O ATOM 407 CB THR A 46 -0.461 10.358 7.073 1.00 0.51 C ATOM 408 OG1 THR A 46 0.485 10.884 6.145 1.00 0.77 O ATOM 409 CG2 THR A 46 -0.762 11.410 8.125 1.00 0.64 C ATOM 0 H THR A 46 2.144 9.400 7.643 1.00 0.43 H new ATOM 0 HA THR A 46 -0.602 8.773 8.522 1.00 0.42 H new ATOM 0 HB THR A 46 -1.385 10.107 6.552 1.00 0.51 H new ATOM 0 HG1 THR A 46 0.046 11.040 5.283 1.00 0.77 H new ATOM 0 HG21 THR A 46 -1.136 12.312 7.641 1.00 0.64 H new ATOM 0 HG22 THR A 46 -1.515 11.030 8.815 1.00 0.64 H new ATOM 0 HG23 THR A 46 0.149 11.645 8.676 1.00 0.64 H new ATOM 417 N TRP A 47 -0.685 6.883 6.924 1.00 0.37 N ATOM 418 CA TRP A 47 -0.910 5.821 5.938 1.00 0.36 C ATOM 419 C TRP A 47 -2.388 5.696 5.615 1.00 0.37 C ATOM 420 O TRP A 47 -3.231 5.794 6.511 1.00 0.50 O ATOM 421 CB TRP A 47 -0.433 4.448 6.420 1.00 0.37 C ATOM 422 CG TRP A 47 1.049 4.259 6.445 1.00 0.36 C ATOM 423 CD1 TRP A 47 2.010 5.165 6.117 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.732 3.055 6.793 1.00 0.37 C ATOM 425 NE1 TRP A 47 3.257 4.613 6.287 1.00 0.40 N ATOM 426 CE2 TRP A 47 3.111 3.311 6.697 1.00 0.40 C ATOM 427 CE3 TRP A 47 1.307 1.792 7.203 1.00 0.40 C ATOM 428 CZ2 TRP A 47 4.066 2.335 6.977 1.00 0.45 C ATOM 429 CZ3 TRP A 47 2.255 0.825 7.473 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.620 1.105 7.370 1.00 0.47 C ATOM 0 H TRP A 47 -1.179 6.745 7.806 1.00 0.37 H new ATOM 0 HA TRP A 47 -0.333 6.110 5.060 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -0.821 4.279 7.424 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -0.869 3.684 5.777 1.00 0.37 H new ATOM 0 HD1 TRP A 47 1.820 6.171 5.773 1.00 0.38 H new ATOM 0 HE1 TRP A 47 4.145 5.092 6.134 1.00 0.40 H new ATOM 0 HE3 TRP A 47 0.254 1.574 7.308 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 5.122 2.544 6.886 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 1.936 -0.164 7.769 1.00 0.45 H new ATOM 0 HH2 TRP A 47 4.337 0.333 7.606 1.00 0.47 H new ATOM 441 N LEU A 48 -2.710 5.430 4.362 1.00 0.31 N ATOM 442 CA LEU A 48 -4.100 5.207 3.997 1.00 0.31 C ATOM 443 C LEU A 48 -4.251 3.913 3.211 1.00 0.28 C ATOM 444 O LEU A 48 -3.270 3.228 2.915 1.00 0.29 O ATOM 445 CB LEU A 48 -4.703 6.374 3.192 1.00 0.37 C ATOM 446 CG LEU A 48 -4.222 6.496 1.741 1.00 0.45 C ATOM 447 CD1 LEU A 48 -5.143 7.399 0.950 1.00 0.60 C ATOM 448 CD2 LEU A 48 -2.809 7.035 1.678 1.00 0.55 C ATOM 0 H LEU A 48 -2.044 5.364 3.592 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.653 5.135 4.934 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -5.788 6.267 3.189 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.476 7.305 3.711 1.00 0.37 H new ATOM 0 HG LEU A 48 -4.235 5.497 1.304 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -4.786 7.473 -0.077 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -6.151 6.984 0.954 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -5.157 8.391 1.402 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -2.495 7.111 0.637 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -2.775 8.022 2.140 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -2.138 6.361 2.211 1.00 0.55 H new ATOM 460 N ILE A 49 -5.487 3.584 2.886 1.00 0.34 N ATOM 461 CA ILE A 49 -5.796 2.424 2.073 1.00 0.36 C ATOM 462 C ILE A 49 -6.798 2.813 0.980 1.00 0.42 C ATOM 463 O ILE A 49 -8.009 2.727 1.173 1.00 0.65 O ATOM 464 CB ILE A 49 -6.378 1.284 2.946 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.411 0.935 4.085 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.660 0.056 2.096 1.00 0.49 C ATOM 467 CD1 ILE A 49 -5.946 -0.090 5.067 1.00 0.46 C ATOM 0 H ILE A 49 -6.307 4.115 3.179 1.00 0.34 H new ATOM 0 HA ILE A 49 -4.877 2.066 1.610 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.317 1.627 3.381 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.483 0.559 3.655 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -5.164 1.847 4.628 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -7.068 -0.736 2.724 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -7.380 0.310 1.318 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -5.734 -0.288 1.635 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -5.200 -0.278 5.839 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -6.858 0.290 5.529 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -6.166 -1.019 4.540 1.00 0.46 H new ATOM 479 N LEU A 50 -6.293 3.274 -0.161 1.00 0.41 N ATOM 480 CA LEU A 50 -7.166 3.728 -1.232 1.00 0.53 C ATOM 481 C LEU A 50 -7.995 2.597 -1.807 1.00 0.78 C ATOM 482 O LEU A 50 -9.171 2.770 -2.100 1.00 1.77 O ATOM 483 CB LEU A 50 -6.378 4.412 -2.350 1.00 0.49 C ATOM 484 CG LEU A 50 -6.239 5.926 -2.194 1.00 0.49 C ATOM 485 CD1 LEU A 50 -5.508 6.518 -3.383 1.00 0.93 C ATOM 486 CD2 LEU A 50 -7.622 6.561 -2.036 1.00 0.99 C ATOM 0 H LEU A 50 -5.296 3.342 -0.364 1.00 0.41 H new ATOM 0 HA LEU A 50 -7.844 4.456 -0.786 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -5.382 3.972 -2.397 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -6.865 4.201 -3.302 1.00 0.49 H new ATOM 0 HG LEU A 50 -5.653 6.137 -1.299 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -5.418 7.597 -3.255 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -4.514 6.077 -3.455 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -6.066 6.306 -4.295 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -7.516 7.640 -1.925 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -8.225 6.344 -2.918 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -8.111 6.152 -1.152 1.00 0.99 H new ATOM 498 N HIS A 51 -7.378 1.449 -1.962 1.00 0.67 N ATOM 499 CA HIS A 51 -8.037 0.294 -2.566 1.00 0.73 C ATOM 500 C HIS A 51 -7.332 -0.984 -2.172 1.00 0.82 C ATOM 501 O HIS A 51 -6.702 -1.636 -3.010 1.00 1.80 O ATOM 502 CB HIS A 51 -8.074 0.422 -4.086 1.00 0.79 C ATOM 503 CG HIS A 51 -9.398 0.885 -4.595 1.00 1.23 C ATOM 504 ND1 HIS A 51 -10.474 0.041 -4.745 1.00 1.87 N ATOM 505 CD2 HIS A 51 -9.828 2.111 -4.967 1.00 1.56 C ATOM 506 CE1 HIS A 51 -11.506 0.727 -5.188 1.00 2.45 C ATOM 507 NE2 HIS A 51 -11.145 1.991 -5.330 1.00 2.30 N ATOM 0 H HIS A 51 -6.413 1.281 -1.679 1.00 0.67 H new ATOM 0 HA HIS A 51 -9.062 0.260 -2.197 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -7.302 1.122 -4.406 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -7.835 -0.543 -4.533 1.00 0.79 H new ATOM 0 HD2 HIS A 51 -9.242 3.018 -4.977 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -12.485 0.324 -5.400 1.00 2.45 H new ATOM 0 HE2 HIS A 51 -11.745 2.749 -5.655 1.00 2.30 H new ATOM 516 N HIS A 52 -7.409 -1.294 -0.883 1.00 0.46 N ATOM 517 CA HIS A 52 -6.779 -2.481 -0.290 1.00 0.42 C ATOM 518 C HIS A 52 -5.259 -2.327 -0.216 1.00 0.43 C ATOM 519 O HIS A 52 -4.614 -2.881 0.667 1.00 0.81 O ATOM 520 CB HIS A 52 -7.149 -3.755 -1.051 1.00 0.58 C ATOM 521 CG HIS A 52 -6.897 -4.979 -0.234 1.00 1.12 C ATOM 522 ND1 HIS A 52 -5.872 -5.863 -0.475 1.00 1.75 N ATOM 523 CD2 HIS A 52 -7.519 -5.422 0.881 1.00 1.81 C ATOM 524 CE1 HIS A 52 -5.870 -6.791 0.463 1.00 2.34 C ATOM 525 NE2 HIS A 52 -6.863 -6.544 1.300 1.00 2.36 N ATOM 0 H HIS A 52 -7.916 -0.724 -0.206 1.00 0.46 H new ATOM 0 HA HIS A 52 -7.164 -2.571 0.726 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -8.201 -3.717 -1.335 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -6.572 -3.808 -1.974 1.00 0.58 H new ATOM 0 HD1 HIS A 52 -5.217 -5.810 -1.255 1.00 1.75 H new ATOM 0 HD2 HIS A 52 -8.378 -4.971 1.354 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -5.174 -7.614 0.535 1.00 2.34 H new ATOM 0 HE2 HIS A 52 -7.100 -7.099 2.122 1.00 2.36 H new ATOM 534 N LYS A 53 -4.683 -1.588 -1.147 1.00 0.33 N ATOM 535 CA LYS A 53 -3.270 -1.281 -1.077 1.00 0.36 C ATOM 536 C LYS A 53 -3.033 -0.106 -0.147 1.00 0.29 C ATOM 537 O LYS A 53 -3.726 0.908 -0.237 1.00 0.32 O ATOM 538 CB LYS A 53 -2.686 -1.017 -2.464 1.00 0.45 C ATOM 539 CG LYS A 53 -2.355 -2.299 -3.205 1.00 0.66 C ATOM 540 CD LYS A 53 -2.078 -2.067 -4.678 1.00 0.95 C ATOM 541 CE LYS A 53 -3.353 -1.736 -5.429 1.00 1.25 C ATOM 542 NZ LYS A 53 -3.173 -1.829 -6.904 1.00 1.76 N ATOM 0 H LYS A 53 -5.168 -1.193 -1.953 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.753 -2.150 -0.671 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -3.397 -0.435 -3.050 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -1.784 -0.413 -2.367 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -1.484 -2.766 -2.745 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -3.184 -2.999 -3.101 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -1.363 -1.252 -4.793 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -1.619 -2.957 -5.109 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -4.145 -2.417 -5.117 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -3.677 -0.729 -5.166 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -4.068 -1.595 -7.378 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 -2.436 -1.161 -7.207 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -2.889 -2.796 -7.159 1.00 1.76 H new ATOM 556 N VAL A 54 -2.078 -0.267 0.751 1.00 0.27 N ATOM 557 CA VAL A 54 -1.707 0.779 1.692 1.00 0.25 C ATOM 558 C VAL A 54 -0.754 1.771 1.025 1.00 0.23 C ATOM 559 O VAL A 54 0.142 1.380 0.272 1.00 0.25 O ATOM 560 CB VAL A 54 -1.069 0.175 2.973 1.00 0.28 C ATOM 561 CG1 VAL A 54 0.067 -0.780 2.637 1.00 0.30 C ATOM 562 CG2 VAL A 54 -0.591 1.268 3.931 1.00 0.32 C ATOM 0 H VAL A 54 -1.537 -1.126 0.850 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.610 1.311 1.991 1.00 0.25 H new ATOM 0 HB VAL A 54 -1.848 -0.397 3.477 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.488 -1.182 3.558 1.00 0.30 H new ATOM 0 HG12 VAL A 54 -0.314 -1.597 2.025 1.00 0.30 H new ATOM 0 HG13 VAL A 54 0.841 -0.245 2.087 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.150 0.809 4.816 1.00 0.32 H new ATOM 0 HG22 VAL A 54 0.156 1.887 3.433 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -1.437 1.888 4.227 1.00 0.32 H new ATOM 572 N TYR A 55 -0.985 3.055 1.260 1.00 0.23 N ATOM 573 CA TYR A 55 -0.123 4.089 0.703 1.00 0.25 C ATOM 574 C TYR A 55 0.560 4.857 1.827 1.00 0.27 C ATOM 575 O TYR A 55 0.448 4.480 2.991 1.00 0.35 O ATOM 576 CB TYR A 55 -0.900 5.090 -0.172 1.00 0.27 C ATOM 577 CG TYR A 55 -1.628 4.517 -1.370 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.636 3.573 -1.228 1.00 0.83 C ATOM 579 CD2 TYR A 55 -1.309 4.950 -2.650 1.00 0.74 C ATOM 580 CE1 TYR A 55 -3.300 3.069 -2.330 1.00 0.85 C ATOM 581 CE2 TYR A 55 -1.970 4.457 -3.755 1.00 0.77 C ATOM 582 CZ TYR A 55 -2.964 3.515 -3.591 1.00 0.42 C ATOM 583 OH TYR A 55 -3.618 3.010 -4.689 1.00 0.49 O ATOM 0 H TYR A 55 -1.756 3.405 1.828 1.00 0.23 H new ATOM 0 HA TYR A 55 0.612 3.584 0.076 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.629 5.600 0.458 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.201 5.847 -0.528 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -2.905 3.227 -0.241 1.00 0.83 H new ATOM 0 HD2 TYR A 55 -0.530 5.686 -2.782 1.00 0.74 H new ATOM 0 HE1 TYR A 55 -4.078 2.330 -2.205 1.00 0.85 H new ATOM 0 HE2 TYR A 55 -1.711 4.807 -4.743 1.00 0.77 H new ATOM 0 HH TYR A 55 -3.264 3.428 -5.502 1.00 0.49 H new ATOM 593 N ASP A 56 1.244 5.942 1.476 1.00 0.34 N ATOM 594 CA ASP A 56 1.862 6.817 2.457 1.00 0.38 C ATOM 595 C ASP A 56 2.022 8.229 1.872 1.00 0.38 C ATOM 596 O ASP A 56 2.599 8.382 0.797 1.00 0.48 O ATOM 597 CB ASP A 56 3.215 6.219 2.895 1.00 0.47 C ATOM 598 CG ASP A 56 4.393 7.180 2.825 1.00 0.63 C ATOM 599 OD1 ASP A 56 4.417 8.153 3.615 1.00 0.94 O ATOM 600 OD2 ASP A 56 5.272 6.997 1.962 1.00 1.32 O ATOM 0 H ASP A 56 1.383 6.235 0.509 1.00 0.34 H new ATOM 0 HA ASP A 56 1.227 6.898 3.339 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.121 5.856 3.919 1.00 0.47 H new ATOM 0 HB3 ASP A 56 3.433 5.354 2.269 1.00 0.47 H new ATOM 605 N LEU A 57 1.455 9.255 2.516 1.00 0.37 N ATOM 606 CA LEU A 57 1.769 10.635 2.127 1.00 0.39 C ATOM 607 C LEU A 57 2.881 11.146 3.028 1.00 0.51 C ATOM 608 O LEU A 57 3.985 11.448 2.562 1.00 1.12 O ATOM 609 CB LEU A 57 0.570 11.613 2.236 1.00 0.45 C ATOM 610 CG LEU A 57 -0.630 11.432 1.272 1.00 0.53 C ATOM 611 CD1 LEU A 57 -0.344 12.096 -0.055 1.00 1.35 C ATOM 612 CD2 LEU A 57 -0.964 9.964 1.042 1.00 1.27 C ATOM 0 H LEU A 57 0.794 9.163 3.288 1.00 0.37 H new ATOM 0 HA LEU A 57 2.058 10.605 1.076 1.00 0.39 H new ATOM 0 HB2 LEU A 57 0.187 11.554 3.255 1.00 0.45 H new ATOM 0 HB3 LEU A 57 0.955 12.624 2.098 1.00 0.45 H new ATOM 0 HG LEU A 57 -1.492 11.904 1.744 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -1.196 11.960 -0.721 1.00 1.35 H new ATOM 0 HD12 LEU A 57 -0.171 13.161 0.101 1.00 1.35 H new ATOM 0 HD13 LEU A 57 0.542 11.647 -0.503 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -1.811 9.886 0.360 1.00 1.27 H new ATOM 0 HD22 LEU A 57 -0.101 9.458 0.608 1.00 1.27 H new ATOM 0 HD23 LEU A 57 -1.219 9.496 1.993 1.00 1.27 H new ATOM 624 N THR A 58 2.551 11.205 4.331 1.00 0.54 N ATOM 625 CA THR A 58 3.422 11.679 5.413 1.00 0.56 C ATOM 626 C THR A 58 4.001 13.051 5.142 1.00 0.66 C ATOM 627 O THR A 58 3.582 14.043 5.736 1.00 1.15 O ATOM 628 CB THR A 58 4.577 10.711 5.711 1.00 0.65 C ATOM 629 OG1 THR A 58 4.087 9.366 5.786 1.00 1.43 O ATOM 630 CG2 THR A 58 5.253 11.064 7.029 1.00 1.12 C ATOM 0 H THR A 58 1.634 10.912 4.668 1.00 0.54 H new ATOM 0 HA THR A 58 2.769 11.735 6.284 1.00 0.56 H new ATOM 0 HB THR A 58 5.303 10.796 4.902 1.00 0.65 H new ATOM 0 HG1 THR A 58 4.472 8.837 5.057 1.00 1.43 H new ATOM 0 HG21 THR A 58 6.068 10.365 7.219 1.00 1.12 H new ATOM 0 HG22 THR A 58 5.650 12.078 6.974 1.00 1.12 H new ATOM 0 HG23 THR A 58 4.526 11.002 7.839 1.00 1.12 H new ATOM 638 N LYS A 59 4.967 13.090 4.251 1.00 0.57 N ATOM 639 CA LYS A 59 5.649 14.311 3.904 1.00 0.58 C ATOM 640 C LYS A 59 4.783 15.097 2.934 1.00 0.48 C ATOM 641 O LYS A 59 4.757 16.324 2.931 1.00 0.54 O ATOM 642 CB LYS A 59 6.986 13.975 3.254 1.00 0.69 C ATOM 643 CG LYS A 59 8.009 15.060 3.451 1.00 1.37 C ATOM 644 CD LYS A 59 9.309 14.751 2.730 1.00 1.96 C ATOM 645 CE LYS A 59 10.367 15.791 3.046 1.00 2.58 C ATOM 646 NZ LYS A 59 10.650 15.871 4.506 1.00 3.59 N ATOM 0 H LYS A 59 5.301 12.269 3.746 1.00 0.57 H new ATOM 0 HA LYS A 59 5.829 14.908 4.798 1.00 0.58 H new ATOM 0 HB2 LYS A 59 7.365 13.042 3.671 1.00 0.69 H new ATOM 0 HB3 LYS A 59 6.837 13.810 2.187 1.00 0.69 H new ATOM 0 HG2 LYS A 59 7.609 16.007 3.088 1.00 1.37 H new ATOM 0 HG3 LYS A 59 8.205 15.185 4.516 1.00 1.37 H new ATOM 0 HD2 LYS A 59 9.666 13.764 3.023 1.00 1.96 H new ATOM 0 HD3 LYS A 59 9.134 14.720 1.655 1.00 1.96 H new ATOM 0 HE2 LYS A 59 11.285 15.548 2.511 1.00 2.58 H new ATOM 0 HE3 LYS A 59 10.037 16.766 2.687 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 11.577 16.318 4.656 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 9.913 16.438 4.972 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 10.658 14.913 4.911 1.00 3.59 H new ATOM 660 N PHE A 60 4.055 14.336 2.119 1.00 0.40 N ATOM 661 CA PHE A 60 3.379 14.863 0.942 1.00 0.35 C ATOM 662 C PHE A 60 2.224 15.781 1.310 1.00 0.36 C ATOM 663 O PHE A 60 1.682 16.491 0.465 1.00 0.40 O ATOM 664 CB PHE A 60 2.894 13.714 0.064 1.00 0.37 C ATOM 665 CG PHE A 60 2.778 14.074 -1.396 1.00 0.76 C ATOM 666 CD1 PHE A 60 3.907 14.332 -2.158 1.00 1.62 C ATOM 667 CD2 PHE A 60 1.537 14.147 -2.010 1.00 1.40 C ATOM 668 CE1 PHE A 60 3.803 14.668 -3.495 1.00 2.01 C ATOM 669 CE2 PHE A 60 1.427 14.483 -3.349 1.00 1.72 C ATOM 670 CZ PHE A 60 2.566 14.738 -4.092 1.00 1.72 C ATOM 0 H PHE A 60 3.919 13.335 2.259 1.00 0.40 H new ATOM 0 HA PHE A 60 4.099 15.463 0.385 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.580 12.874 0.169 1.00 0.37 H new ATOM 0 HB3 PHE A 60 1.922 13.378 0.425 1.00 0.37 H new ATOM 0 HD1 PHE A 60 4.883 14.270 -1.700 1.00 1.62 H new ATOM 0 HD2 PHE A 60 0.645 13.939 -1.437 1.00 1.40 H new ATOM 0 HE1 PHE A 60 4.693 14.875 -4.071 1.00 2.01 H new ATOM 0 HE2 PHE A 60 0.454 14.546 -3.813 1.00 1.72 H new ATOM 0 HZ PHE A 60 2.484 14.991 -5.139 1.00 1.72 H new ATOM 680 N LEU A 61 1.874 15.742 2.603 1.00 0.38 N ATOM 681 CA LEU A 61 0.789 16.545 3.174 1.00 0.44 C ATOM 682 C LEU A 61 1.018 18.027 2.907 1.00 0.47 C ATOM 683 O LEU A 61 0.088 18.824 2.929 1.00 0.60 O ATOM 684 CB LEU A 61 0.696 16.313 4.691 1.00 0.50 C ATOM 685 CG LEU A 61 0.506 14.855 5.122 1.00 0.56 C ATOM 686 CD1 LEU A 61 0.265 14.772 6.616 1.00 0.72 C ATOM 687 CD2 LEU A 61 -0.645 14.225 4.353 1.00 0.61 C ATOM 0 H LEU A 61 2.341 15.146 3.286 1.00 0.38 H new ATOM 0 HA LEU A 61 -0.143 16.237 2.700 1.00 0.44 H new ATOM 0 HB2 LEU A 61 1.604 16.696 5.156 1.00 0.50 H new ATOM 0 HB3 LEU A 61 -0.135 16.901 5.081 1.00 0.50 H new ATOM 0 HG LEU A 61 1.416 14.300 4.893 1.00 0.56 H new ATOM 0 HD11 LEU A 61 0.132 13.730 6.906 1.00 0.72 H new ATOM 0 HD12 LEU A 61 1.121 15.190 7.146 1.00 0.72 H new ATOM 0 HD13 LEU A 61 -0.631 15.337 6.872 1.00 0.72 H new ATOM 0 HD21 LEU A 61 -0.770 13.189 4.668 1.00 0.61 H new ATOM 0 HD22 LEU A 61 -1.563 14.778 4.553 1.00 0.61 H new ATOM 0 HD23 LEU A 61 -0.429 14.256 3.285 1.00 0.61 H new ATOM 699 N GLU A 62 2.294 18.365 2.694 1.00 0.46 N ATOM 700 CA GLU A 62 2.743 19.736 2.486 1.00 0.55 C ATOM 701 C GLU A 62 2.438 20.237 1.080 1.00 0.53 C ATOM 702 O GLU A 62 2.315 21.439 0.862 1.00 0.72 O ATOM 703 CB GLU A 62 4.255 19.801 2.697 1.00 0.68 C ATOM 704 CG GLU A 62 4.696 19.519 4.121 1.00 0.99 C ATOM 705 CD GLU A 62 4.558 20.735 5.011 1.00 1.22 C ATOM 706 OE1 GLU A 62 3.467 20.921 5.599 1.00 1.60 O ATOM 707 OE2 GLU A 62 5.533 21.494 5.149 1.00 1.62 O ATOM 0 H GLU A 62 3.050 17.681 2.662 1.00 0.46 H new ATOM 0 HA GLU A 62 2.210 20.367 3.197 1.00 0.55 H new ATOM 0 HB2 GLU A 62 4.735 19.084 2.031 1.00 0.68 H new ATOM 0 HB3 GLU A 62 4.609 20.791 2.408 1.00 0.68 H new ATOM 0 HG2 GLU A 62 4.101 18.702 4.529 1.00 0.99 H new ATOM 0 HG3 GLU A 62 5.734 19.187 4.120 1.00 0.99 H new ATOM 714 N GLU A 63 2.363 19.315 0.126 1.00 0.42 N ATOM 715 CA GLU A 63 2.372 19.676 -1.290 1.00 0.48 C ATOM 716 C GLU A 63 1.087 19.264 -1.991 1.00 0.46 C ATOM 717 O GLU A 63 0.755 19.791 -3.054 1.00 0.66 O ATOM 718 CB GLU A 63 3.578 19.020 -1.959 1.00 0.59 C ATOM 719 CG GLU A 63 4.896 19.483 -1.374 1.00 1.05 C ATOM 720 CD GLU A 63 6.089 18.861 -2.062 1.00 1.31 C ATOM 721 OE1 GLU A 63 6.140 18.899 -3.309 1.00 1.83 O ATOM 722 OE2 GLU A 63 6.960 18.304 -1.358 1.00 2.03 O ATOM 0 H GLU A 63 2.295 18.313 0.306 1.00 0.42 H new ATOM 0 HA GLU A 63 2.442 20.761 -1.370 1.00 0.48 H new ATOM 0 HB2 GLU A 63 3.500 17.938 -1.857 1.00 0.59 H new ATOM 0 HB3 GLU A 63 3.561 19.242 -3.026 1.00 0.59 H new ATOM 0 HG2 GLU A 63 4.962 20.568 -1.451 1.00 1.05 H new ATOM 0 HG3 GLU A 63 4.924 19.237 -0.313 1.00 1.05 H new ATOM 729 N HIS A 64 0.380 18.308 -1.394 1.00 0.33 N ATOM 730 CA HIS A 64 -0.874 17.821 -1.947 1.00 0.32 C ATOM 731 C HIS A 64 -1.975 18.863 -1.780 1.00 0.42 C ATOM 732 O HIS A 64 -2.258 19.297 -0.663 1.00 0.52 O ATOM 733 CB HIS A 64 -1.272 16.508 -1.281 1.00 0.38 C ATOM 734 CG HIS A 64 -2.601 15.897 -1.693 1.00 0.36 C ATOM 735 ND1 HIS A 64 -3.777 16.112 -1.012 1.00 0.44 N ATOM 736 CD2 HIS A 64 -2.888 15.059 -2.756 1.00 0.34 C ATOM 737 CE1 HIS A 64 -4.757 15.427 -1.630 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.254 14.782 -2.682 1.00 0.36 N ATOM 0 H HIS A 64 0.659 17.855 -0.523 1.00 0.33 H new ATOM 0 HA HIS A 64 -0.735 17.640 -3.013 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -0.488 15.777 -1.479 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -1.293 16.668 -0.203 1.00 0.38 H new ATOM 0 HD2 HIS A 64 -2.193 14.692 -3.496 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -5.792 15.404 -1.321 1.00 0.43 H new ATOM 0 HE2 HIS A 64 -4.778 14.187 -3.324 1.00 0.36 H new ATOM 746 N PRO A 65 -2.644 19.228 -2.894 1.00 0.51 N ATOM 747 CA PRO A 65 -3.545 20.393 -2.955 1.00 0.73 C ATOM 748 C PRO A 65 -4.701 20.339 -1.954 1.00 0.90 C ATOM 749 O PRO A 65 -5.222 21.376 -1.541 1.00 1.46 O ATOM 750 CB PRO A 65 -4.124 20.325 -4.373 1.00 0.96 C ATOM 751 CG PRO A 65 -3.174 19.488 -5.155 1.00 0.81 C ATOM 752 CD PRO A 65 -2.588 18.514 -4.184 1.00 0.55 C ATOM 0 HA PRO A 65 -2.998 21.305 -2.715 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -5.121 19.885 -4.368 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -4.217 21.321 -4.806 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -3.686 18.970 -5.966 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -2.396 20.102 -5.610 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -3.160 17.586 -4.153 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -1.565 18.249 -4.451 1.00 0.55 H new ATOM 760 N GLY A 66 -5.079 19.122 -1.574 1.00 1.08 N ATOM 761 CA GLY A 66 -6.312 18.898 -0.840 1.00 1.38 C ATOM 762 C GLY A 66 -6.374 19.587 0.508 1.00 1.38 C ATOM 763 O GLY A 66 -7.466 19.822 1.025 1.00 2.03 O ATOM 0 H GLY A 66 -4.544 18.275 -1.765 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -7.149 19.241 -1.448 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -6.443 17.826 -0.692 1.00 1.38 H new ATOM 767 N GLY A 67 -5.217 19.891 1.086 1.00 1.25 N ATOM 768 CA GLY A 67 -5.173 20.577 2.366 1.00 1.70 C ATOM 769 C GLY A 67 -4.399 19.788 3.407 1.00 1.24 C ATOM 770 O GLY A 67 -3.849 18.729 3.100 1.00 1.66 O ATOM 0 H GLY A 67 -4.303 19.673 0.689 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -4.712 21.556 2.237 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -6.189 20.747 2.721 1.00 1.70 H new ATOM 774 N GLU A 68 -4.357 20.290 4.636 1.00 1.38 N ATOM 775 CA GLU A 68 -3.639 19.606 5.702 1.00 1.18 C ATOM 776 C GLU A 68 -4.610 18.830 6.566 1.00 0.94 C ATOM 777 O GLU A 68 -4.845 17.641 6.360 1.00 0.98 O ATOM 778 CB GLU A 68 -2.857 20.602 6.577 1.00 1.50 C ATOM 779 CG GLU A 68 -2.044 19.946 7.695 1.00 1.48 C ATOM 780 CD GLU A 68 -1.776 20.893 8.855 1.00 2.09 C ATOM 781 OE1 GLU A 68 -1.073 21.904 8.655 1.00 2.25 O ATOM 782 OE2 GLU A 68 -2.278 20.633 9.975 1.00 2.88 O ATOM 0 H GLU A 68 -4.808 21.161 4.916 1.00 1.38 H new ATOM 0 HA GLU A 68 -2.928 18.921 5.240 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -2.183 21.177 5.941 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -3.559 21.309 7.019 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -2.578 19.070 8.062 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -1.095 19.594 7.291 1.00 1.48 H new ATOM 789 N GLU A 69 -5.202 19.542 7.513 1.00 0.91 N ATOM 790 CA GLU A 69 -5.987 18.933 8.566 1.00 0.84 C ATOM 791 C GLU A 69 -7.306 18.412 8.033 1.00 0.75 C ATOM 792 O GLU A 69 -7.849 17.428 8.530 1.00 0.78 O ATOM 793 CB GLU A 69 -6.229 19.954 9.668 1.00 0.97 C ATOM 794 CG GLU A 69 -6.624 19.322 10.988 1.00 1.64 C ATOM 795 CD GLU A 69 -6.763 20.332 12.103 1.00 1.97 C ATOM 796 OE1 GLU A 69 -5.739 20.927 12.496 1.00 2.27 O ATOM 797 OE2 GLU A 69 -7.896 20.539 12.583 1.00 2.63 O ATOM 0 H GLU A 69 -5.149 20.559 7.570 1.00 0.91 H new ATOM 0 HA GLU A 69 -5.434 18.084 8.969 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -5.325 20.546 9.812 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -7.013 20.642 9.352 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -7.569 18.793 10.864 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -5.877 18.579 11.268 1.00 1.64 H new ATOM 804 N VAL A 70 -7.825 19.105 7.021 1.00 0.79 N ATOM 805 CA VAL A 70 -9.114 18.766 6.439 1.00 0.86 C ATOM 806 C VAL A 70 -9.015 17.502 5.599 1.00 0.82 C ATOM 807 O VAL A 70 -10.026 16.906 5.234 1.00 1.01 O ATOM 808 CB VAL A 70 -9.679 19.924 5.591 1.00 1.09 C ATOM 809 CG1 VAL A 70 -9.907 21.144 6.460 1.00 1.96 C ATOM 810 CG2 VAL A 70 -8.743 20.259 4.438 1.00 1.41 C ATOM 0 H VAL A 70 -7.367 19.907 6.588 1.00 0.79 H new ATOM 0 HA VAL A 70 -9.802 18.586 7.265 1.00 0.86 H new ATOM 0 HB VAL A 70 -10.634 19.608 5.170 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -10.306 21.955 5.851 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -10.617 20.900 7.250 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -8.962 21.455 6.905 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -9.163 21.078 3.855 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -7.771 20.555 4.833 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -8.624 19.383 3.800 1.00 1.41 H new ATOM 820 N LEU A 71 -7.791 17.121 5.281 1.00 0.72 N ATOM 821 CA LEU A 71 -7.516 15.802 4.762 1.00 0.74 C ATOM 822 C LEU A 71 -7.133 14.916 5.913 1.00 0.70 C ATOM 823 O LEU A 71 -7.837 13.969 6.260 1.00 0.77 O ATOM 824 CB LEU A 71 -6.354 15.820 3.752 1.00 0.84 C ATOM 825 CG LEU A 71 -6.575 16.622 2.476 1.00 1.10 C ATOM 826 CD1 LEU A 71 -5.411 16.391 1.528 1.00 1.62 C ATOM 827 CD2 LEU A 71 -7.894 16.248 1.814 1.00 1.69 C ATOM 0 H LEU A 71 -6.968 17.716 5.376 1.00 0.72 H new ATOM 0 HA LEU A 71 -8.407 15.437 4.251 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -5.471 16.215 4.255 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -6.128 14.791 3.473 1.00 0.84 H new ATOM 0 HG LEU A 71 -6.627 17.681 2.730 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -5.567 16.964 0.614 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -4.485 16.712 2.004 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -5.345 15.331 1.285 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -8.025 16.836 0.906 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -7.887 15.188 1.562 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -8.716 16.452 2.500 1.00 1.69 H new ATOM 839 N ARG A 72 -5.987 15.270 6.500 1.00 0.70 N ATOM 840 CA ARG A 72 -5.279 14.429 7.436 1.00 0.78 C ATOM 841 C ARG A 72 -5.088 13.072 6.777 1.00 0.92 C ATOM 842 O ARG A 72 -4.966 12.048 7.435 1.00 1.03 O ATOM 843 CB ARG A 72 -6.003 14.360 8.784 1.00 0.77 C ATOM 844 CG ARG A 72 -5.030 14.242 9.945 1.00 1.42 C ATOM 845 CD ARG A 72 -5.727 14.297 11.294 1.00 1.49 C ATOM 846 NE ARG A 72 -6.474 13.073 11.584 1.00 2.11 N ATOM 847 CZ ARG A 72 -7.655 13.056 12.193 1.00 2.48 C ATOM 848 NH1 ARG A 72 -8.174 14.185 12.666 1.00 2.24 N ATOM 849 NH2 ARG A 72 -8.297 11.908 12.372 1.00 3.47 N ATOM 0 H ARG A 72 -5.528 16.164 6.328 1.00 0.70 H new ATOM 0 HA ARG A 72 -4.299 14.844 7.672 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -6.615 15.252 8.913 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -6.680 13.505 8.789 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -4.481 13.304 9.861 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -4.298 15.047 9.885 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -4.986 14.462 12.077 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -6.407 15.148 11.314 1.00 1.49 H new ATOM 0 HE ARG A 72 -6.065 12.182 11.303 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -7.666 15.063 12.561 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -9.080 14.173 13.134 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -7.884 11.036 12.042 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -9.203 11.898 12.840 1.00 3.47 H new ATOM 863 N GLU A 73 -5.109 13.128 5.437 1.00 1.13 N ATOM 864 CA GLU A 73 -4.943 11.990 4.552 1.00 1.55 C ATOM 865 C GLU A 73 -6.067 10.956 4.685 1.00 1.28 C ATOM 866 O GLU A 73 -6.064 9.963 3.961 1.00 1.60 O ATOM 867 CB GLU A 73 -3.598 11.326 4.800 1.00 1.97 C ATOM 868 CG GLU A 73 -3.223 10.314 3.741 1.00 2.63 C ATOM 869 CD GLU A 73 -2.007 9.514 4.139 1.00 3.18 C ATOM 870 OE1 GLU A 73 -0.897 10.083 4.163 1.00 3.55 O ATOM 871 OE2 GLU A 73 -2.158 8.325 4.444 1.00 3.65 O ATOM 0 H GLU A 73 -5.248 14.003 4.932 1.00 1.13 H new ATOM 0 HA GLU A 73 -4.987 12.377 3.534 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -2.826 12.094 4.848 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -3.618 10.833 5.772 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -4.062 9.640 3.569 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -3.029 10.828 2.799 1.00 2.63 H new ATOM 878 N GLN A 74 -7.046 11.200 5.585 1.00 0.77 N ATOM 879 CA GLN A 74 -8.039 10.171 5.930 1.00 0.62 C ATOM 880 C GLN A 74 -7.301 8.999 6.561 1.00 0.56 C ATOM 881 O GLN A 74 -7.763 7.857 6.581 1.00 0.64 O ATOM 882 CB GLN A 74 -8.766 9.700 4.672 1.00 0.63 C ATOM 883 CG GLN A 74 -10.106 10.360 4.388 1.00 0.76 C ATOM 884 CD GLN A 74 -10.461 11.488 5.338 1.00 1.00 C ATOM 885 OE1 GLN A 74 -11.051 11.265 6.393 1.00 1.57 O ATOM 886 NE2 GLN A 74 -10.144 12.715 4.947 1.00 1.68 N ATOM 0 H GLN A 74 -7.165 12.086 6.076 1.00 0.77 H new ATOM 0 HA GLN A 74 -8.775 10.579 6.623 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -8.113 9.867 3.815 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -8.923 8.624 4.749 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -10.098 10.748 3.369 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -10.888 9.602 4.434 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -9.654 12.858 4.064 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -10.390 13.515 5.529 1.00 1.68 H new ATOM 895 N ALA A 75 -6.128 9.348 7.073 1.00 0.55 N ATOM 896 CA ALA A 75 -5.089 8.403 7.457 1.00 0.58 C ATOM 897 C ALA A 75 -5.540 7.442 8.539 1.00 0.52 C ATOM 898 O ALA A 75 -6.167 7.842 9.519 1.00 0.70 O ATOM 899 CB ALA A 75 -3.859 9.175 7.911 1.00 0.70 C ATOM 0 H ALA A 75 -5.867 10.320 7.237 1.00 0.55 H new ATOM 0 HA ALA A 75 -4.853 7.794 6.584 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -3.076 8.474 8.200 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -3.501 9.802 7.094 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -4.118 9.803 8.764 1.00 0.70 H new ATOM 905 N GLY A 76 -5.188 6.175 8.349 1.00 0.49 N ATOM 906 CA GLY A 76 -5.530 5.123 9.287 1.00 0.58 C ATOM 907 C GLY A 76 -6.158 3.934 8.586 1.00 0.48 C ATOM 908 O GLY A 76 -5.875 2.785 8.924 1.00 0.72 O ATOM 0 H GLY A 76 -4.658 5.853 7.539 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -4.634 4.802 9.817 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -6.221 5.512 10.035 1.00 0.58 H new ATOM 912 N GLY A 77 -7.017 4.205 7.608 1.00 0.42 N ATOM 913 CA GLY A 77 -7.646 3.134 6.857 1.00 0.52 C ATOM 914 C GLY A 77 -8.001 3.558 5.458 1.00 0.44 C ATOM 915 O GLY A 77 -7.234 4.271 4.814 1.00 0.78 O ATOM 0 H GLY A 77 -7.288 5.146 7.323 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -6.974 2.277 6.816 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -8.547 2.808 7.376 1.00 0.52 H new ATOM 919 N ASP A 78 -9.153 3.130 4.970 1.00 0.55 N ATOM 920 CA ASP A 78 -9.505 3.400 3.592 1.00 0.72 C ATOM 921 C ASP A 78 -9.931 4.846 3.416 1.00 0.67 C ATOM 922 O ASP A 78 -10.390 5.490 4.361 1.00 1.04 O ATOM 923 CB ASP A 78 -10.598 2.458 3.080 1.00 1.14 C ATOM 924 CG ASP A 78 -11.971 2.810 3.613 1.00 1.82 C ATOM 925 OD1 ASP A 78 -12.276 2.419 4.759 1.00 2.28 O ATOM 926 OD2 ASP A 78 -12.743 3.476 2.891 1.00 2.59 O ATOM 0 H ASP A 78 -9.848 2.603 5.499 1.00 0.55 H new ATOM 0 HA ASP A 78 -8.611 3.220 2.995 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -10.617 2.489 1.991 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -10.353 1.435 3.366 1.00 1.14 H new ATOM 931 N ALA A 79 -9.773 5.360 2.212 1.00 0.54 N ATOM 932 CA ALA A 79 -10.216 6.706 1.916 1.00 0.58 C ATOM 933 C ALA A 79 -11.063 6.724 0.644 1.00 0.56 C ATOM 934 O ALA A 79 -11.519 7.778 0.193 1.00 0.67 O ATOM 935 CB ALA A 79 -9.026 7.634 1.775 1.00 0.73 C ATOM 0 H ALA A 79 -9.344 4.869 1.428 1.00 0.54 H new ATOM 0 HA ALA A 79 -10.832 7.057 2.744 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -9.375 8.642 1.553 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -8.460 7.643 2.706 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -8.386 7.285 0.965 1.00 0.73 H new ATOM 941 N THR A 80 -11.291 5.533 0.086 1.00 0.54 N ATOM 942 CA THR A 80 -11.893 5.379 -1.242 1.00 0.60 C ATOM 943 C THR A 80 -13.328 5.904 -1.329 1.00 0.65 C ATOM 944 O THR A 80 -13.837 6.086 -2.434 1.00 0.84 O ATOM 945 CB THR A 80 -11.854 3.903 -1.701 1.00 0.66 C ATOM 946 OG1 THR A 80 -12.401 3.760 -3.030 1.00 0.84 O ATOM 947 CG2 THR A 80 -12.608 2.999 -0.730 1.00 0.70 C ATOM 0 H THR A 80 -11.064 4.649 0.541 1.00 0.54 H new ATOM 0 HA THR A 80 -11.286 5.991 -1.909 1.00 0.60 H new ATOM 0 HB THR A 80 -10.808 3.597 -1.716 1.00 0.66 H new ATOM 0 HG1 THR A 80 -11.839 3.149 -3.551 1.00 0.84 H new ATOM 0 HG21 THR A 80 -12.561 1.968 -1.082 1.00 0.70 H new ATOM 0 HG22 THR A 80 -12.153 3.066 0.258 1.00 0.70 H new ATOM 0 HG23 THR A 80 -13.649 3.316 -0.672 1.00 0.70 H new ATOM 955 N GLU A 81 -13.964 6.153 -0.187 1.00 0.65 N ATOM 956 CA GLU A 81 -15.324 6.701 -0.164 1.00 0.79 C ATOM 957 C GLU A 81 -15.429 7.940 -1.054 1.00 0.85 C ATOM 958 O GLU A 81 -16.245 8.017 -1.973 1.00 0.98 O ATOM 959 CB GLU A 81 -15.713 7.067 1.266 1.00 0.91 C ATOM 960 CG GLU A 81 -17.061 7.776 1.364 1.00 1.54 C ATOM 961 CD GLU A 81 -17.489 8.050 2.798 1.00 1.82 C ATOM 962 OE1 GLU A 81 -17.109 9.108 3.341 1.00 2.27 O ATOM 963 OE2 GLU A 81 -18.218 7.214 3.380 1.00 2.27 O ATOM 0 H GLU A 81 -13.563 5.985 0.736 1.00 0.65 H new ATOM 0 HA GLU A 81 -16.004 5.939 -0.546 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -15.743 6.160 1.870 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -14.941 7.708 1.692 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -17.009 8.719 0.820 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -17.821 7.167 0.874 1.00 1.54 H new ATOM 970 N ASN A 82 -14.563 8.907 -0.751 1.00 0.82 N ATOM 971 CA ASN A 82 -14.536 10.189 -1.442 1.00 0.90 C ATOM 972 C ASN A 82 -14.209 9.996 -2.918 1.00 0.94 C ATOM 973 O ASN A 82 -14.708 10.705 -3.789 1.00 1.09 O ATOM 974 CB ASN A 82 -13.490 11.095 -0.784 1.00 0.93 C ATOM 975 CG ASN A 82 -13.435 12.467 -1.418 1.00 1.70 C ATOM 976 OD1 ASN A 82 -14.148 13.380 -1.002 1.00 2.41 O ATOM 977 ND2 ASN A 82 -12.585 12.621 -2.418 1.00 2.40 N ATOM 0 H ASN A 82 -13.860 8.820 -0.017 1.00 0.82 H new ATOM 0 HA ASN A 82 -15.519 10.654 -1.370 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -13.718 11.197 0.277 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -12.509 10.625 -0.856 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -12.499 13.526 -2.880 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -12.014 11.834 -2.728 1.00 2.40 H new ATOM 984 N PHE A 83 -13.350 9.004 -3.154 1.00 0.85 N ATOM 985 CA PHE A 83 -12.726 8.757 -4.449 1.00 0.89 C ATOM 986 C PHE A 83 -13.740 8.310 -5.480 1.00 1.02 C ATOM 987 O PHE A 83 -13.553 8.516 -6.678 1.00 1.17 O ATOM 988 CB PHE A 83 -11.640 7.685 -4.282 1.00 0.81 C ATOM 989 CG PHE A 83 -10.874 7.374 -5.542 1.00 0.86 C ATOM 990 CD1 PHE A 83 -9.971 8.288 -6.060 1.00 0.97 C ATOM 991 CD2 PHE A 83 -11.046 6.160 -6.203 1.00 1.20 C ATOM 992 CE1 PHE A 83 -9.256 8.003 -7.207 1.00 1.06 C ATOM 993 CE2 PHE A 83 -10.334 5.873 -7.356 1.00 1.33 C ATOM 994 CZ PHE A 83 -9.437 6.797 -7.856 1.00 1.13 C ATOM 0 H PHE A 83 -13.065 8.339 -2.435 1.00 0.85 H new ATOM 0 HA PHE A 83 -12.285 9.688 -4.805 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -10.938 8.013 -3.516 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -12.104 6.768 -3.918 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -9.824 9.235 -5.561 1.00 0.97 H new ATOM 0 HD2 PHE A 83 -11.743 5.434 -5.812 1.00 1.20 H new ATOM 0 HE1 PHE A 83 -8.554 8.725 -7.597 1.00 1.06 H new ATOM 0 HE2 PHE A 83 -10.480 4.930 -7.862 1.00 1.33 H new ATOM 0 HZ PHE A 83 -8.878 6.577 -8.753 1.00 1.13 H new ATOM 1004 N GLU A 84 -14.789 7.659 -4.989 1.00 1.00 N ATOM 1005 CA GLU A 84 -15.842 7.123 -5.830 1.00 1.14 C ATOM 1006 C GLU A 84 -16.813 8.219 -6.258 1.00 1.24 C ATOM 1007 O GLU A 84 -17.474 8.129 -7.294 1.00 1.46 O ATOM 1008 CB GLU A 84 -16.609 6.044 -5.059 1.00 1.20 C ATOM 1009 CG GLU A 84 -15.765 4.852 -4.642 1.00 1.33 C ATOM 1010 CD GLU A 84 -16.589 3.758 -3.990 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -16.930 3.892 -2.795 1.00 2.30 O ATOM 1012 OE2 GLU A 84 -16.892 2.753 -4.663 1.00 2.19 O ATOM 0 H GLU A 84 -14.929 7.490 -3.993 1.00 1.00 H new ATOM 0 HA GLU A 84 -15.385 6.696 -6.723 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -17.047 6.493 -4.168 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -17.435 5.691 -5.677 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -15.256 4.447 -5.517 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -14.992 5.183 -3.948 1.00 1.33 H new ATOM 1019 N ASP A 85 -16.901 9.246 -5.409 1.00 1.18 N ATOM 1020 CA ASP A 85 -17.913 10.291 -5.530 1.00 1.34 C ATOM 1021 C ASP A 85 -17.389 11.485 -6.312 1.00 1.45 C ATOM 1022 O ASP A 85 -18.009 11.906 -7.288 1.00 1.90 O ATOM 1023 CB ASP A 85 -18.377 10.740 -4.137 1.00 1.35 C ATOM 1024 CG ASP A 85 -19.531 11.731 -4.198 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -20.575 11.397 -4.799 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -19.400 12.843 -3.644 1.00 1.81 O ATOM 0 H ASP A 85 -16.270 9.374 -4.618 1.00 1.18 H new ATOM 0 HA ASP A 85 -18.759 9.875 -6.077 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -18.682 9.867 -3.560 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -17.540 11.195 -3.608 1.00 1.35 H new ATOM 1031 N VAL A 86 -16.251 12.023 -5.883 1.00 1.34 N ATOM 1032 CA VAL A 86 -15.649 13.188 -6.532 1.00 1.50 C ATOM 1033 C VAL A 86 -14.146 13.262 -6.258 1.00 1.26 C ATOM 1034 O VAL A 86 -13.727 13.279 -5.100 1.00 1.87 O ATOM 1035 CB VAL A 86 -16.291 14.519 -6.053 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -17.543 14.854 -6.858 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -16.620 14.462 -4.565 1.00 2.64 C ATOM 0 H VAL A 86 -15.723 11.670 -5.085 1.00 1.34 H new ATOM 0 HA VAL A 86 -15.830 13.063 -7.600 1.00 1.50 H new ATOM 0 HB VAL A 86 -15.560 15.311 -6.217 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -17.967 15.791 -6.497 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -17.282 14.955 -7.911 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -18.275 14.055 -6.741 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -17.068 15.406 -4.255 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -17.321 13.649 -4.378 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -15.706 14.291 -3.997 1.00 2.64 H new ATOM 1047 N GLY A 87 -13.329 13.301 -7.312 1.00 1.38 N ATOM 1048 CA GLY A 87 -11.913 13.563 -7.115 1.00 1.82 C ATOM 1049 C GLY A 87 -10.987 12.845 -8.079 1.00 1.46 C ATOM 1050 O GLY A 87 -11.258 11.722 -8.504 1.00 2.23 O ATOM 0 H GLY A 87 -13.616 13.159 -8.280 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -11.742 14.636 -7.202 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -11.645 13.279 -6.097 1.00 1.82 H new ATOM 1054 N HIS A 88 -9.888 13.530 -8.405 1.00 1.05 N ATOM 1055 CA HIS A 88 -8.763 12.975 -9.169 1.00 0.81 C ATOM 1056 C HIS A 88 -9.023 12.892 -10.669 1.00 0.89 C ATOM 1057 O HIS A 88 -9.954 12.223 -11.116 1.00 1.32 O ATOM 1058 CB HIS A 88 -8.327 11.600 -8.641 1.00 0.89 C ATOM 1059 CG HIS A 88 -7.665 11.664 -7.298 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -7.584 10.599 -6.402 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -7.019 12.699 -6.706 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -6.908 11.024 -5.319 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -6.559 12.274 -5.481 1.00 0.48 N ATOM 0 H HIS A 88 -9.751 14.506 -8.141 1.00 1.05 H new ATOM 0 HA HIS A 88 -7.951 13.686 -9.020 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -9.199 10.949 -8.578 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -7.641 11.145 -9.355 1.00 0.89 H new ATOM 0 HD1 HIS A 88 -7.968 9.665 -6.542 1.00 0.88 H new ATOM 0 HD2 HIS A 88 -6.888 13.686 -7.124 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -6.687 10.424 -4.448 1.00 0.98 H new ATOM 1071 N SER A 89 -8.174 13.565 -11.440 1.00 0.81 N ATOM 1072 CA SER A 89 -8.166 13.423 -12.888 1.00 1.00 C ATOM 1073 C SER A 89 -7.053 12.461 -13.311 1.00 1.00 C ATOM 1074 O SER A 89 -6.361 11.914 -12.442 1.00 1.43 O ATOM 1075 CB SER A 89 -7.991 14.789 -13.557 1.00 1.22 C ATOM 1076 OG SER A 89 -6.924 15.513 -12.965 1.00 1.06 O ATOM 0 H SER A 89 -7.478 14.218 -11.080 1.00 0.81 H new ATOM 0 HA SER A 89 -9.122 13.010 -13.210 1.00 1.00 H new ATOM 0 HB2 SER A 89 -7.797 14.654 -14.621 1.00 1.22 H new ATOM 0 HB3 SER A 89 -8.915 15.361 -13.471 1.00 1.22 H new ATOM 0 HG SER A 89 -6.160 15.531 -13.579 1.00 1.06 H new ATOM 1082 N THR A 90 -6.849 12.269 -14.610 1.00 1.14 N ATOM 1083 CA THR A 90 -5.862 11.303 -15.100 1.00 1.15 C ATOM 1084 C THR A 90 -4.449 11.579 -14.561 1.00 1.15 C ATOM 1085 O THR A 90 -3.635 10.665 -14.438 1.00 1.72 O ATOM 1086 CB THR A 90 -5.835 11.294 -16.638 1.00 1.27 C ATOM 1087 OG1 THR A 90 -6.405 12.510 -17.143 1.00 1.45 O ATOM 1088 CG2 THR A 90 -6.604 10.104 -17.184 1.00 1.49 C ATOM 0 H THR A 90 -7.351 12.767 -15.345 1.00 1.14 H new ATOM 0 HA THR A 90 -6.171 10.325 -14.730 1.00 1.15 H new ATOM 0 HB THR A 90 -4.797 11.216 -16.963 1.00 1.27 H new ATOM 0 HG1 THR A 90 -6.383 12.499 -18.123 1.00 1.45 H new ATOM 0 HG21 THR A 90 -6.571 10.118 -18.273 1.00 1.49 H new ATOM 0 HG22 THR A 90 -6.153 9.181 -16.820 1.00 1.49 H new ATOM 0 HG23 THR A 90 -7.641 10.157 -16.851 1.00 1.49 H new ATOM 1096 N ASP A 91 -4.166 12.833 -14.226 1.00 0.95 N ATOM 1097 CA ASP A 91 -2.860 13.212 -13.685 1.00 0.97 C ATOM 1098 C ASP A 91 -2.547 12.399 -12.437 1.00 0.89 C ATOM 1099 O ASP A 91 -1.507 11.753 -12.331 1.00 0.88 O ATOM 1100 CB ASP A 91 -2.847 14.699 -13.335 1.00 1.12 C ATOM 1101 CG ASP A 91 -3.322 15.562 -14.476 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -4.554 15.675 -14.661 1.00 1.90 O ATOM 1103 OD2 ASP A 91 -2.473 16.106 -15.211 1.00 2.46 O ATOM 0 H ASP A 91 -4.823 13.608 -14.319 1.00 0.95 H new ATOM 0 HA ASP A 91 -2.103 13.011 -14.443 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -3.481 14.870 -12.465 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -1.836 14.995 -13.056 1.00 1.12 H new ATOM 1108 N ALA A 92 -3.504 12.434 -11.506 1.00 0.90 N ATOM 1109 CA ALA A 92 -3.325 11.934 -10.148 1.00 0.90 C ATOM 1110 C ALA A 92 -3.267 10.411 -10.071 1.00 0.82 C ATOM 1111 O ALA A 92 -2.627 9.863 -9.179 1.00 1.07 O ATOM 1112 CB ALA A 92 -4.453 12.443 -9.269 1.00 0.97 C ATOM 0 H ALA A 92 -4.434 12.815 -11.680 1.00 0.90 H new ATOM 0 HA ALA A 92 -2.362 12.306 -9.797 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -4.320 12.070 -8.254 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -4.443 13.533 -9.259 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -5.407 12.092 -9.662 1.00 0.97 H new ATOM 1118 N ARG A 93 -3.932 9.738 -11.006 1.00 0.75 N ATOM 1119 CA ARG A 93 -3.984 8.270 -11.021 1.00 0.73 C ATOM 1120 C ARG A 93 -2.595 7.687 -11.265 1.00 0.69 C ATOM 1121 O ARG A 93 -2.326 6.523 -10.972 1.00 0.81 O ATOM 1122 CB ARG A 93 -4.926 7.795 -12.131 1.00 0.82 C ATOM 1123 CG ARG A 93 -4.341 7.973 -13.527 1.00 1.64 C ATOM 1124 CD ARG A 93 -5.229 7.395 -14.620 1.00 1.70 C ATOM 1125 NE ARG A 93 -4.623 7.525 -15.949 1.00 2.71 N ATOM 1126 CZ ARG A 93 -5.016 6.844 -17.031 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -6.008 5.953 -16.953 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -4.393 7.049 -18.183 1.00 4.15 N ATOM 0 H ARG A 93 -4.445 10.183 -11.767 1.00 0.75 H new ATOM 0 HA ARG A 93 -4.350 7.930 -10.052 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -5.162 6.743 -11.974 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -5.864 8.346 -12.064 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -4.184 9.035 -13.717 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -3.363 7.494 -13.569 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -5.422 6.343 -14.411 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -6.193 7.904 -14.610 1.00 1.70 H new ATOM 0 HE ARG A 93 -3.848 8.180 -16.056 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -6.475 5.786 -16.061 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -6.299 5.440 -17.785 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -3.625 7.719 -18.236 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -4.681 6.537 -19.017 1.00 4.15 H new ATOM 1142 N GLU A 94 -1.716 8.526 -11.795 1.00 0.60 N ATOM 1143 CA GLU A 94 -0.452 8.082 -12.360 1.00 0.60 C ATOM 1144 C GLU A 94 0.697 8.632 -11.535 1.00 0.58 C ATOM 1145 O GLU A 94 1.853 8.223 -11.670 1.00 0.74 O ATOM 1146 CB GLU A 94 -0.372 8.572 -13.806 1.00 0.68 C ATOM 1147 CG GLU A 94 0.642 7.826 -14.640 1.00 1.19 C ATOM 1148 CD GLU A 94 0.539 8.166 -16.111 1.00 1.38 C ATOM 1149 OE1 GLU A 94 -0.370 7.639 -16.783 1.00 1.62 O ATOM 1150 OE2 GLU A 94 1.366 8.970 -16.599 1.00 2.11 O ATOM 0 H GLU A 94 -1.860 9.534 -11.845 1.00 0.60 H new ATOM 0 HA GLU A 94 -0.386 6.994 -12.345 1.00 0.60 H new ATOM 0 HB2 GLU A 94 -1.354 8.474 -14.269 1.00 0.68 H new ATOM 0 HB3 GLU A 94 -0.123 9.633 -13.808 1.00 0.68 H new ATOM 0 HG2 GLU A 94 1.645 8.062 -14.285 1.00 1.19 H new ATOM 0 HG3 GLU A 94 0.500 6.754 -14.507 1.00 1.19 H new ATOM 1157 N MET A 95 0.338 9.580 -10.681 1.00 0.48 N ATOM 1158 CA MET A 95 1.270 10.259 -9.801 1.00 0.49 C ATOM 1159 C MET A 95 1.329 9.532 -8.468 1.00 0.42 C ATOM 1160 O MET A 95 2.297 9.637 -7.723 1.00 0.50 O ATOM 1161 CB MET A 95 0.787 11.700 -9.598 1.00 0.53 C ATOM 1162 CG MET A 95 1.763 12.605 -8.852 1.00 0.65 C ATOM 1163 SD MET A 95 3.301 12.880 -9.757 1.00 1.09 S ATOM 1164 CE MET A 95 4.164 13.992 -8.643 1.00 1.75 C ATOM 0 H MET A 95 -0.625 9.902 -10.581 1.00 0.48 H new ATOM 0 HA MET A 95 2.268 10.266 -10.239 1.00 0.49 H new ATOM 0 HB2 MET A 95 0.580 12.139 -10.574 1.00 0.53 H new ATOM 0 HB3 MET A 95 -0.156 11.678 -9.052 1.00 0.53 H new ATOM 0 HG2 MET A 95 1.285 13.565 -8.659 1.00 0.65 H new ATOM 0 HG3 MET A 95 1.992 12.162 -7.883 1.00 0.65 H new ATOM 0 HE1 MET A 95 5.134 14.252 -9.067 1.00 1.75 H new ATOM 0 HE2 MET A 95 3.574 14.898 -8.504 1.00 1.75 H new ATOM 0 HE3 MET A 95 4.309 13.502 -7.680 1.00 1.75 H new ATOM 1174 N SER A 96 0.249 8.800 -8.171 1.00 0.34 N ATOM 1175 CA SER A 96 0.085 8.152 -6.876 1.00 0.31 C ATOM 1176 C SER A 96 0.767 6.779 -6.781 1.00 0.31 C ATOM 1177 O SER A 96 0.758 6.121 -5.742 1.00 0.33 O ATOM 1178 CB SER A 96 -1.398 8.029 -6.531 1.00 0.36 C ATOM 1179 OG SER A 96 -1.945 9.277 -6.152 1.00 1.13 O ATOM 0 H SER A 96 -0.525 8.645 -8.817 1.00 0.34 H new ATOM 0 HA SER A 96 0.586 8.792 -6.150 1.00 0.31 H new ATOM 0 HB2 SER A 96 -1.942 7.638 -7.391 1.00 0.36 H new ATOM 0 HB3 SER A 96 -1.526 7.312 -5.720 1.00 0.36 H new ATOM 0 HG SER A 96 -2.258 9.753 -6.950 1.00 1.13 H new ATOM 1185 N LYS A 97 1.298 6.356 -7.943 1.00 0.36 N ATOM 1186 CA LYS A 97 1.792 4.994 -8.174 1.00 0.43 C ATOM 1187 C LYS A 97 2.937 4.632 -7.250 1.00 0.41 C ATOM 1188 O LYS A 97 2.980 3.515 -6.745 1.00 0.48 O ATOM 1189 CB LYS A 97 2.230 4.823 -9.642 1.00 0.56 C ATOM 1190 CG LYS A 97 1.095 4.938 -10.645 1.00 0.83 C ATOM 1191 CD LYS A 97 1.579 4.691 -12.068 1.00 1.15 C ATOM 1192 CE LYS A 97 1.793 3.212 -12.389 1.00 1.56 C ATOM 1193 NZ LYS A 97 2.916 2.590 -11.618 1.00 2.15 N ATOM 0 H LYS A 97 1.395 6.963 -8.757 1.00 0.36 H new ATOM 0 HA LYS A 97 0.967 4.315 -7.957 1.00 0.43 H new ATOM 0 HB2 LYS A 97 2.984 5.575 -9.875 1.00 0.56 H new ATOM 0 HB3 LYS A 97 2.705 3.849 -9.757 1.00 0.56 H new ATOM 0 HG2 LYS A 97 0.314 4.220 -10.396 1.00 0.83 H new ATOM 0 HG3 LYS A 97 0.649 5.930 -10.579 1.00 0.83 H new ATOM 0 HD2 LYS A 97 0.853 5.106 -12.768 1.00 1.15 H new ATOM 0 HD3 LYS A 97 2.515 5.228 -12.224 1.00 1.15 H new ATOM 0 HE2 LYS A 97 0.873 2.666 -12.180 1.00 1.56 H new ATOM 0 HE3 LYS A 97 1.992 3.105 -13.455 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 3.407 1.897 -12.218 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 3.586 3.329 -11.324 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 2.536 2.112 -10.776 1.00 2.15 H new ATOM 1207 N THR A 98 3.869 5.562 -7.054 1.00 0.40 N ATOM 1208 CA THR A 98 5.045 5.308 -6.231 1.00 0.46 C ATOM 1209 C THR A 98 4.785 5.601 -4.757 1.00 0.41 C ATOM 1210 O THR A 98 5.709 5.617 -3.940 1.00 0.48 O ATOM 1211 CB THR A 98 6.242 6.137 -6.717 1.00 0.59 C ATOM 1212 OG1 THR A 98 5.790 7.428 -7.139 1.00 1.01 O ATOM 1213 CG2 THR A 98 6.954 5.448 -7.868 1.00 1.15 C ATOM 0 H THR A 98 3.831 6.499 -7.455 1.00 0.40 H new ATOM 0 HA THR A 98 5.276 4.247 -6.331 1.00 0.46 H new ATOM 0 HB THR A 98 6.945 6.240 -5.891 1.00 0.59 H new ATOM 0 HG1 THR A 98 6.555 7.958 -7.448 1.00 1.01 H new ATOM 0 HG21 THR A 98 7.797 6.058 -8.192 1.00 1.15 H new ATOM 0 HG22 THR A 98 7.316 4.473 -7.541 1.00 1.15 H new ATOM 0 HG23 THR A 98 6.261 5.318 -8.699 1.00 1.15 H new ATOM 1221 N PHE A 99 3.527 5.851 -4.435 1.00 0.32 N ATOM 1222 CA PHE A 99 3.098 6.023 -3.054 1.00 0.32 C ATOM 1223 C PHE A 99 2.501 4.721 -2.538 1.00 0.30 C ATOM 1224 O PHE A 99 2.226 4.574 -1.351 1.00 0.31 O ATOM 1225 CB PHE A 99 2.072 7.154 -2.961 1.00 0.34 C ATOM 1226 CG PHE A 99 2.673 8.515 -3.168 1.00 0.36 C ATOM 1227 CD1 PHE A 99 3.264 9.189 -2.110 1.00 0.77 C ATOM 1228 CD2 PHE A 99 2.664 9.113 -4.418 1.00 0.88 C ATOM 1229 CE1 PHE A 99 3.823 10.437 -2.293 1.00 0.81 C ATOM 1230 CE2 PHE A 99 3.220 10.365 -4.604 1.00 0.90 C ATOM 1231 CZ PHE A 99 3.805 11.024 -3.542 1.00 0.47 C ATOM 0 H PHE A 99 2.776 5.940 -5.119 1.00 0.32 H new ATOM 0 HA PHE A 99 3.959 6.285 -2.439 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.292 6.991 -3.705 1.00 0.34 H new ATOM 0 HB3 PHE A 99 1.591 7.121 -1.983 1.00 0.34 H new ATOM 0 HD1 PHE A 99 3.287 8.732 -1.132 1.00 0.77 H new ATOM 0 HD2 PHE A 99 2.218 8.596 -5.255 1.00 0.88 H new ATOM 0 HE1 PHE A 99 4.274 10.954 -1.459 1.00 0.81 H new ATOM 0 HE2 PHE A 99 3.197 10.827 -5.580 1.00 0.90 H new ATOM 0 HZ PHE A 99 4.248 11.998 -3.688 1.00 0.47 H new ATOM 1241 N ILE A 100 2.291 3.781 -3.458 1.00 0.32 N ATOM 1242 CA ILE A 100 1.741 2.481 -3.117 1.00 0.32 C ATOM 1243 C ILE A 100 2.821 1.630 -2.456 1.00 0.34 C ATOM 1244 O ILE A 100 3.733 1.163 -3.138 1.00 0.43 O ATOM 1245 CB ILE A 100 1.236 1.730 -4.369 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.180 2.558 -5.091 1.00 0.32 C ATOM 1247 CG2 ILE A 100 0.693 0.357 -3.991 1.00 0.42 C ATOM 1248 CD1 ILE A 100 -0.360 1.903 -6.342 1.00 0.38 C ATOM 0 H ILE A 100 2.497 3.902 -4.450 1.00 0.32 H new ATOM 0 HA ILE A 100 0.902 2.645 -2.441 1.00 0.32 H new ATOM 0 HB ILE A 100 2.075 1.581 -5.048 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.647 2.751 -4.407 1.00 0.32 H new ATOM 0 HG13 ILE A 100 0.608 3.525 -5.354 1.00 0.32 H new ATOM 0 HG21 ILE A 100 0.343 -0.155 -4.887 1.00 0.42 H new ATOM 0 HG22 ILE A 100 1.483 -0.230 -3.523 1.00 0.42 H new ATOM 0 HG23 ILE A 100 -0.135 0.473 -3.292 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -1.106 2.552 -6.800 1.00 0.38 H new ATOM 0 HD12 ILE A 100 0.455 1.735 -7.046 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.819 0.949 -6.084 1.00 0.38 H new ATOM 1260 N ILE A 101 2.737 1.418 -1.149 1.00 0.32 N ATOM 1261 CA ILE A 101 3.822 0.728 -0.451 1.00 0.35 C ATOM 1262 C ILE A 101 3.569 -0.774 -0.337 1.00 0.36 C ATOM 1263 O ILE A 101 4.511 -1.549 -0.185 1.00 0.43 O ATOM 1264 CB ILE A 101 4.093 1.312 0.954 1.00 0.36 C ATOM 1265 CG1 ILE A 101 2.873 1.115 1.856 1.00 0.33 C ATOM 1266 CG2 ILE A 101 4.474 2.787 0.858 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.072 1.602 3.275 1.00 0.38 C ATOM 0 H ILE A 101 1.954 1.703 -0.561 1.00 0.32 H new ATOM 0 HA ILE A 101 4.708 0.890 -1.065 1.00 0.35 H new ATOM 0 HB ILE A 101 4.933 0.778 1.398 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.023 1.638 1.419 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.618 0.056 1.879 1.00 0.33 H new ATOM 0 HG21 ILE A 101 4.661 3.180 1.857 1.00 0.46 H new ATOM 0 HG22 ILE A 101 5.374 2.892 0.253 1.00 0.46 H new ATOM 0 HG23 ILE A 101 3.659 3.344 0.395 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.163 1.427 3.851 1.00 0.38 H new ATOM 0 HD12 ILE A 101 3.901 1.061 3.732 1.00 0.38 H new ATOM 0 HD13 ILE A 101 3.296 2.669 3.266 1.00 0.38 H new ATOM 1279 N GLY A 102 2.307 -1.191 -0.397 1.00 0.33 N ATOM 1280 CA GLY A 102 2.004 -2.610 -0.362 1.00 0.39 C ATOM 1281 C GLY A 102 0.524 -2.880 -0.174 1.00 0.35 C ATOM 1282 O GLY A 102 -0.296 -1.992 -0.390 1.00 0.35 O ATOM 0 H GLY A 102 1.496 -0.577 -0.469 1.00 0.33 H new ATOM 0 HA2 GLY A 102 2.340 -3.074 -1.289 1.00 0.39 H new ATOM 0 HA3 GLY A 102 2.562 -3.078 0.449 1.00 0.39 H new ATOM 1286 N GLU A 103 0.181 -4.100 0.227 1.00 0.40 N ATOM 1287 CA GLU A 103 -1.208 -4.466 0.504 1.00 0.42 C ATOM 1288 C GLU A 103 -1.396 -4.813 1.978 1.00 0.37 C ATOM 1289 O GLU A 103 -0.517 -4.557 2.800 1.00 0.39 O ATOM 1290 CB GLU A 103 -1.660 -5.658 -0.348 1.00 0.52 C ATOM 1291 CG GLU A 103 -1.931 -5.327 -1.799 1.00 0.74 C ATOM 1292 CD GLU A 103 -3.169 -6.041 -2.308 1.00 1.22 C ATOM 1293 OE1 GLU A 103 -3.080 -7.255 -2.580 1.00 1.87 O ATOM 1294 OE2 GLU A 103 -4.221 -5.385 -2.475 1.00 1.85 O ATOM 0 H GLU A 103 0.849 -4.858 0.369 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.818 -3.599 0.250 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -0.894 -6.432 -0.302 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -2.565 -6.079 0.090 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -2.059 -4.250 -1.910 1.00 0.74 H new ATOM 0 HG3 GLU A 103 -1.071 -5.610 -2.405 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.549 -5.384 2.308 1.00 0.40 N ATOM 1302 CA LEU A 104 -2.809 -5.869 3.657 1.00 0.42 C ATOM 1303 C LEU A 104 -2.520 -7.355 3.767 1.00 0.42 C ATOM 1304 O LEU A 104 -2.611 -8.079 2.778 1.00 0.48 O ATOM 1305 CB LEU A 104 -4.257 -5.618 4.070 1.00 0.51 C ATOM 1306 CG LEU A 104 -4.551 -4.247 4.690 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -3.737 -4.051 5.955 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -4.277 -3.128 3.702 1.00 1.33 C ATOM 0 H LEU A 104 -3.321 -5.522 1.656 1.00 0.40 H new ATOM 0 HA LEU A 104 -2.146 -5.318 4.324 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -4.891 -5.741 3.192 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -4.549 -6.388 4.784 1.00 0.51 H new ATOM 0 HG LEU A 104 -5.610 -4.215 4.948 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -3.958 -3.073 6.382 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -3.992 -4.828 6.676 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -2.675 -4.112 5.717 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -4.495 -2.168 4.170 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -3.230 -3.156 3.402 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -4.910 -3.255 2.824 1.00 1.33 H new ATOM 1320 N HIS A 105 -2.153 -7.778 4.973 1.00 0.48 N ATOM 1321 CA HIS A 105 -1.920 -9.194 5.310 1.00 0.53 C ATOM 1322 C HIS A 105 -2.918 -10.149 4.634 1.00 0.60 C ATOM 1323 O HIS A 105 -4.057 -9.770 4.341 1.00 0.64 O ATOM 1324 CB HIS A 105 -1.982 -9.383 6.831 1.00 0.68 C ATOM 1325 CG HIS A 105 -3.241 -8.863 7.450 1.00 1.13 C ATOM 1326 ND1 HIS A 105 -4.206 -9.669 8.006 1.00 1.82 N ATOM 1327 CD2 HIS A 105 -3.684 -7.600 7.576 1.00 1.68 C ATOM 1328 CE1 HIS A 105 -5.201 -8.916 8.444 1.00 2.41 C ATOM 1329 NE2 HIS A 105 -4.909 -7.649 8.194 1.00 2.37 N ATOM 0 H HIS A 105 -2.005 -7.145 5.759 1.00 0.48 H new ATOM 0 HA HIS A 105 -0.929 -9.447 4.932 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -1.886 -10.444 7.061 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -1.129 -8.880 7.286 1.00 0.68 H new ATOM 0 HD1 HIS A 105 -4.162 -10.686 8.070 1.00 1.82 H new ATOM 0 HD2 HIS A 105 -3.169 -6.708 7.250 1.00 1.68 H new ATOM 0 HE1 HIS A 105 -6.100 -9.274 8.924 1.00 2.41 H new ATOM 1338 N PRO A 106 -2.490 -11.413 4.421 1.00 0.74 N ATOM 1339 CA PRO A 106 -3.265 -12.447 3.700 1.00 1.00 C ATOM 1340 C PRO A 106 -4.720 -12.566 4.151 1.00 1.18 C ATOM 1341 O PRO A 106 -5.597 -12.922 3.376 1.00 1.67 O ATOM 1342 CB PRO A 106 -2.516 -13.734 4.043 1.00 1.17 C ATOM 1343 CG PRO A 106 -1.109 -13.305 4.237 1.00 1.02 C ATOM 1344 CD PRO A 106 -1.180 -11.937 4.867 1.00 0.79 C ATOM 0 HA PRO A 106 -3.330 -12.213 2.637 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -2.917 -14.198 4.944 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -2.600 -14.468 3.241 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -0.572 -14.004 4.879 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -0.576 -13.271 3.287 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -1.120 -11.993 5.954 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -0.360 -11.300 4.535 1.00 0.79 H new ATOM 1352 N ASP A 107 -4.958 -12.244 5.416 1.00 1.16 N ATOM 1353 CA ASP A 107 -6.225 -12.533 6.079 1.00 1.47 C ATOM 1354 C ASP A 107 -7.226 -11.449 5.723 1.00 1.22 C ATOM 1355 O ASP A 107 -8.437 -11.628 5.804 1.00 1.47 O ATOM 1356 CB ASP A 107 -6.021 -12.564 7.600 1.00 1.90 C ATOM 1357 CG ASP A 107 -4.639 -13.044 7.992 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -3.698 -12.228 7.935 1.00 3.31 O ATOM 1359 OD2 ASP A 107 -4.489 -14.231 8.349 1.00 3.27 O ATOM 0 H ASP A 107 -4.277 -11.774 6.013 1.00 1.16 H new ATOM 0 HA ASP A 107 -6.597 -13.504 5.751 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -6.183 -11.565 8.005 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -6.769 -13.216 8.050 1.00 1.90 H new ATOM 1364 N ASP A 108 -6.672 -10.305 5.328 1.00 0.95 N ATOM 1365 CA ASP A 108 -7.449 -9.103 5.039 1.00 1.11 C ATOM 1366 C ASP A 108 -7.825 -9.063 3.554 1.00 1.14 C ATOM 1367 O ASP A 108 -8.729 -8.363 3.102 1.00 1.53 O ATOM 1368 CB ASP A 108 -6.626 -7.871 5.397 1.00 1.39 C ATOM 1369 CG ASP A 108 -7.358 -6.583 5.088 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -7.293 -6.127 3.924 1.00 3.12 O ATOM 1371 OD2 ASP A 108 -7.986 -6.030 6.005 1.00 3.44 O ATOM 0 H ASP A 108 -5.667 -10.186 5.199 1.00 0.95 H new ATOM 0 HA ASP A 108 -8.363 -9.115 5.632 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -6.376 -7.899 6.458 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -5.685 -7.893 4.847 1.00 1.39 H new ATOM 1376 N ARG A 109 -7.015 -9.824 2.809 1.00 0.99 N ATOM 1377 CA ARG A 109 -6.930 -9.765 1.349 1.00 1.18 C ATOM 1378 C ARG A 109 -8.169 -10.325 0.655 1.00 1.48 C ATOM 1379 O ARG A 109 -8.793 -9.597 -0.111 1.00 1.98 O ATOM 1380 CB ARG A 109 -5.672 -10.491 0.864 1.00 1.11 C ATOM 1381 CG ARG A 109 -5.235 -10.071 -0.528 1.00 1.45 C ATOM 1382 CD ARG A 109 -4.519 -11.203 -1.245 1.00 1.73 C ATOM 1383 NE ARG A 109 -3.866 -10.766 -2.474 1.00 2.25 N ATOM 1384 CZ ARG A 109 -3.920 -11.451 -3.616 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -4.669 -12.541 -3.704 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -3.222 -11.054 -4.670 1.00 3.35 N ATOM 0 H ARG A 109 -6.385 -10.515 3.217 1.00 0.99 H new ATOM 0 HA ARG A 109 -6.872 -8.711 1.078 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -4.859 -10.302 1.565 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -5.856 -11.565 0.871 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -6.105 -9.763 -1.108 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -4.575 -9.206 -0.459 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -3.775 -11.637 -0.577 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -5.236 -11.990 -1.479 1.00 1.73 H new ATOM 0 HE ARG A 109 -3.341 -9.891 -2.459 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -5.206 -12.857 -2.897 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -4.709 -13.063 -4.579 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -2.639 -10.219 -4.610 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -3.268 -11.583 -5.541 1.00 3.35 H new